Monday, May 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
IUPAC NAME: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SYSTEMATIC NAME: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]ethanamide
MOLECULAR FORMULA: C22H32N4O2
MOLECULAR WEIGHT: 384.51508
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)N3C=NC=N3)C(C)C
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Product OPENEYE NAME: N-methyl-3-(m-tolylmethoxy)-N-(3-thienylmethyl)benzamide
CAS Name: N-methyl-3-[(3-methylphenyl)methoxy]-N-(3-thiophenylmethyl)benzamide
IUPAC NAME: N-methyl-3-[(3-methylphenyl)methoxy]-N-(thiophen-3-ylmethyl)benzamide
SYSTEMATIC NAME: N-methyl-3-[(3-methylphenyl)methoxy]-N-(thiophen-3-ylmethyl)benzamide
MOLECULAR FORMULA: C21H21NO2S
MOLECULAR WEIGHT: 351.46194
SMILES: CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N(C)CC3=CSC=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-[[4-(morpholinomethyl)phenyl]methyl]cyclobutanecarboxamide
CAS Name: 1-(4-chlorophenyl)-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-1-cyclobutanecarboxamide
IUPAC NAME: 1-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
MOLECULAR FORMULA: C23H27ClN2O2
MOLECULAR WEIGHT: 398.92568
SMILES: C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4CCOCC4
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Product OPENEYE NAME: N-[[4-(morpholinomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CAS Name: N-[[4-(4-morpholinylmethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
IUPAC NAME: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SYSTEMATIC NAME: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide
MOLECULAR FORMULA: C22H25N3O4
MOLECULAR WEIGHT: 395.4516
SMILES: C1COCCN1CC2=CC=C(C=C2)CNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3
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Product OPENEYE NAME: N-[[4-(morpholinomethyl)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CAS Name: N-[[4-(4-morpholinylmethyl)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
IUPAC NAME: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SYSTEMATIC NAME: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide
MOLECULAR FORMULA: C22H25N3O4
MOLECULAR WEIGHT: 395.4516
SMILES: C1COCCN1CC2=CC=C(C=C2)CNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3
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Product OPENEYE NAME: 1-ethyl-N-[[4-(morpholinomethyl)phenyl]methyl]indole-3-carboxamide
CAS Name: 1-ethyl-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-3-indolecarboxamide
IUPAC NAME: 1-ethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indole-3-carboxamide
SYSTEMATIC NAME: 1-ethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indole-3-carboxamide
MOLECULAR FORMULA: C23H27N3O2
MOLECULAR WEIGHT: 377.47938
SMILES: CCN1C=C(C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4CCOCC4
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Product OPENEYE NAME: 6-chloro-N-[[4-(morpholinomethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CAS Name: 6-chloro-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-2H-1-benzopyran-3-carboxamide
IUPAC NAME: 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
MOLECULAR FORMULA: C22H23ClN2O3
MOLECULAR WEIGHT: 398.88262
SMILES: C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3
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Product OPENEYE NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-N-(2-hydroxyethyl)-3-methyl-butanamide
CAS Name: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-N-(2-hydroxyethyl)-3-methylbutanamide
IUPAC NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-N-(2-hydroxyethyl)-3-methylbutanamide
SYSTEMATIC NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-N-(2-hydroxyethyl)-3-methyl-butanamide
MOLECULAR FORMULA: C21H26ClNO3
MOLECULAR WEIGHT: 375.88904
SMILES: CC(C)CC(=O)N(CCO)CC1=CC(=CC=C1)OCC2=CC=CC=C2Cl
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Product OPENEYE NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-(3,5-dimethylisoxazol-4-yl)-N-(2-hydroxyethyl)propanamide
CAS Name: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-N-(2-hydroxyethyl)propanamide
IUPAC NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)propanamide
SYSTEMATIC NAME: N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)propanamide
MOLECULAR FORMULA: C24H27ClN2O4
MOLECULAR WEIGHT: 442.93518
SMILES: CC1=C(C(=NO1)C)CCC(=O)N(CCO)CC2=CC(=CC=C2)OCC3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[4-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-4-oxo-butyl]furan-2-carboxamide
CAS Name: N-[4-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-4-oxobutyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-4-oxidanylidene-butyl]furan-2-carboxamide
MOLECULAR FORMULA: C25H27ClN2O5
MOLECULAR WEIGHT: 470.94528
SMILES: C1=CC=C(C(=C1)COC2=CC=CC(=C2)CN(CCO)C(=O)CCCNC(=O)C3=CC=CO3)Cl
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Product OPENEYE NAME: N-[3-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-3-oxo-propyl]thiophene-3-carboxamide
CAS Name: N-[3-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-3-oxopropyl]-3-thiophenecarboxamide
IUPAC NAME: N-[3-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[3-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C24H25ClN2O4S
MOLECULAR WEIGHT: 472.9843
SMILES: C1=CC=C(C(=C1)COC2=CC=CC(=C2)CN(CCO)C(=O)CCNC(=O)C3=CSC=C3)Cl
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Product OPENEYE NAME: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]-[4-[(2-methylthiazol-4-yl)methylsulfanyl]phenyl]methanone
CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]methanone
IUPAC NAME: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
SYSTEMATIC NAME: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
MOLECULAR FORMULA: C21H24N4O2S2
MOLECULAR WEIGHT: 428.57086
SMILES: CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C
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Product OPENEYE NAME: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(3-chlorophenyl)-5-(2-furyl)-N-methyl-pyrazole-3-carboxamide
CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-5-(2-furanyl)-N-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C21H23ClN4O3
MOLECULAR WEIGHT: 414.88532
SMILES: CC(C)(C)NC(=O)CN(C)C(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 4-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-phenyl-pyrazole-3-carboxamide
CAS Name: 4-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-phenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-phenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C24H26N5O3+
MOLECULAR WEIGHT: 432.49494
SMILES: C[N+]1=C(NC=C1)CN(C)C(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4
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Product OPENEYE NAME: 5-[2-[4-[methoxy(methyl)sulfamoyl]anilino]-2-oxo-ethyl]-4-methyl-thiazole-2-thiolate
CAS Name: 5-[2-[4-[methoxy(methyl)sulfamoyl]anilino]-2-oxoethyl]-4-methyl-2-thiazolethiolate
IUPAC NAME: 5-[2-[4-[methoxy(methyl)sulfamoyl]anilino]-2-oxoethyl]-4-methyl-1,3-thiazole-2-thiolate
SYSTEMATIC NAME: 5-[2-[[4-[methoxy(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-2-thiolate
MOLECULAR FORMULA: C14H16N3O4S3-
MOLECULAR WEIGHT: 386.48954
SMILES: CC1=C(SC(=N1)[S-])CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)OC
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Product OPENEYE NAME: N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(4-methyl-2-thioxo-3H-thiazol-5-yl)acetamide
CAS Name: N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(4-methyl-2-sulfanylidene-3H-thiazol-5-yl)acetamide
IUPAC NAME: N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SYSTEMATIC NAME: N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanamide
MOLECULAR FORMULA: C14H17N3O4S3
MOLECULAR WEIGHT: 387.49748
SMILES: CC1=C(SC(=S)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)OC
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Product OPENEYE NAME: (2S)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]piperidine-2-carboxamide
CAS Name: (2S)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-piperidinecarboxamide
IUPAC NAME: (2S)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide
MOLECULAR FORMULA: C17H23N3O4S
MOLECULAR WEIGHT: 365.44722
SMILES: C1CCN([C@@H](C1)C(=O)NCC(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]piperidine-2-carboxamide
CAS Name: (2R)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-piperidinecarboxamide
IUPAC NAME: (2R)-1-(benzenesulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide
MOLECULAR FORMULA: C17H23N3O4S
MOLECULAR WEIGHT: 365.44722
SMILES: C1CCN([C@H](C1)C(=O)NCC(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CAS Name: 1-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide
IUPAC NAME: 1-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: 1-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C16H14ClF3N4O2
MOLECULAR WEIGHT: 386.75617
SMILES: C1CC1NC(=O)CNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: benzyl-[3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]propyl]-methyl-ammonium
CAS Name: 3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]propyl-methyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propyl]-methylazanium
SYSTEMATIC NAME: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propyl-methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C18H23N2O2+
MOLECULAR WEIGHT: 299.38742
SMILES: C[NH+](CCCNC(=O)/C=C/C1=CC=CO1)CC2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(2-furyl)prop-2-enamide
CAS Name: (E)-3-(2-furanyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-propenamide
IUPAC NAME: (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-[3-[methyl-(phenylmethyl)amino]propyl]prop-2-enamide
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CN(CCCNC(=O)/C=C/C1=CC=CO1)CC2=CC=CC=C2
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Product OPENEYE NAME: benzyl-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]-methyl-ammonium
CAS Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]propyl-methyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]-methylazanium
SYSTEMATIC NAME: 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl-methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C22H29N2O3+
MOLECULAR WEIGHT: 369.47726
SMILES: C[NH+](CCCNC(=O)/C=C/C1=CC(=C(C=C1)OC)OC)CC2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-propenamide
IUPAC NAME: (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]prop-2-enamide
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CN(CCCNC(=O)/C=C/C1=CC(=C(C=C1)OC)OC)CC2=CC=CC=C2
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Product OPENEYE NAME: benzyl-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]-methyl-ammonium
CAS Name: 3-[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]propyl-methyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]-methylazanium
SYSTEMATIC NAME: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl-methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C21H27N2O2+
MOLECULAR WEIGHT: 339.45128
SMILES: C[NH+](CCCNC(=O)/C=C/C1=CC=CC=C1OC)CC2=CC=CC=C2
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