Product OPENEYE NAME: 4-amino-5-fluoro-1-[2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CAS Name: 4-amino-5-fluoro-1-[2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]-2-pyrimidinone
IUPAC NAME: 4-amino-5-fluoro-1-[2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H12FN3O4
MOLECULAR WEIGHT: 245.207683
SMILES: CC1C(OC(O1)CO)N2C=C(C(=NC2=O)N)F
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Product OPENEYE NAME: (E)-N-methyl-3-(1-methylpyrrol-2-yl)-N-(1-naphthylmethyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-3-(1-methyl-2-pyrrolyl)-N-(1-naphthalenylmethyl)-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-3-(1-methylpyrrol-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-3-(1-methylpyrrol-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C20H22N2
MOLECULAR WEIGHT: 290.40208
SMILES: CN1C=CC=C1/C=C/CN(C)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 5-(6-amino-2-methoxy-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
CAS Name: 5-(6-amino-2-methoxy-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol
IUPAC NAME: 5-(6-amino-2-methoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-azanyl-2-methoxy-purin-9-yl)-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C11H14FN5O4
MOLECULAR WEIGHT: 299.258363
SMILES: COC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)F
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Product OPENEYE NAME: (E)-N-methyl-N-(1-naphthylmethyl)-3-(3-thienyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-N-(1-naphthalenylmethyl)-3-(3-thiophenyl)-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-thiophen-3-ylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-thiophen-3-yl-prop-2-en-1-amine
MOLECULAR FORMULA: C19H19NS
MOLECULAR WEIGHT: 293.42586
SMILES: CN(C/C=C/C1=CSC=C1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: (E)-N-methyl-N-(1-naphthylmethyl)-3-(2-thienyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-N-(1-naphthalenylmethyl)-3-thiophen-2-yl-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-thiophen-2-ylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-prop-2-en-1-amine
MOLECULAR FORMULA: C19H19NS
MOLECULAR WEIGHT: 293.42586
SMILES: CN(C/C=C/C1=CC=CS1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: N-(4-bromophenyl)-2-hydroxy-5-octanoyl-benzamide
CAS Name: N-(4-bromophenyl)-2-hydroxy-5-(1-oxooctyl)benzamide
IUPAC NAME: N-(4-bromophenyl)-2-hydroxy-5-octanoylbenzamide
SYSTEMATIC NAME: N-(4-bromophenyl)-5-octanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C21H24BrNO3
MOLECULAR WEIGHT: 418.32416
SMILES: CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: N-(4-bromophenyl)-5-hexanoyl-2-hydroxy-benzamide
CAS Name: N-(4-bromophenyl)-2-hydroxy-5-(1-oxohexyl)benzamide
IUPAC NAME: N-(4-bromophenyl)-5-hexanoyl-2-hydroxybenzamide
SYSTEMATIC NAME: N-(4-bromophenyl)-5-hexanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H20BrNO3
MOLECULAR WEIGHT: 390.271
SMILES: CCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: (E)-N-methyl-N-(1-naphthylmethyl)-4-phenyl-but-3-en-2-amine
CAS Name: (E)-N-methyl-N-(1-naphthalenylmethyl)-4-phenyl-3-buten-2-amine
IUPAC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-4-phenylbut-3-en-2-amine
SYSTEMATIC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-4-phenyl-but-3-en-2-amine
MOLECULAR FORMULA: C22H23N
MOLECULAR WEIGHT: 301.42472
SMILES: CC(/C=C/C1=CC=CC=C1)N(C)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-(4-fluorophenyl)butanoic acid
CAS Name: 3-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-4-(4-fluorophenyl)butanoic acid
IUPAC NAME: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
SYSTEMATIC NAME: 3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-4-(4-fluorophenyl)butanoic acid
MOLECULAR FORMULA: C33H38FN3O5
MOLECULAR WEIGHT: 575.670323
SMILES: C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=C(C=C3)F)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
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Product OPENEYE NAME: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-7-(o-tolylcarbamoylamino)heptanoic acid
CAS Name: 3-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-7-[[(2-methylanilino)-oxomethyl]amino]heptanoic acid
IUPAC NAME: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-7-[(2-methylphenyl)carbamoylamino]heptanoic acid
SYSTEMATIC NAME: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-7-[(2-methylphenyl)carbamoylamino]heptanoic acid
MOLECULAR FORMULA: C38H49N5O6
MOLECULAR WEIGHT: 671.82556
SMILES: CC1=CC=CC=C1NC(=O)NCCCCC(CC(=O)O)NC(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4C5CC6CC(C5)CC4C6
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Product OPENEYE NAME: 2-[[6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-3,12-disec-butyl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-guanidino-pentanoic acid
CAS Name: 5-(diaminomethylideneamino)-2-[[[[3,12-di(butan-2-yl)-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]-oxomethyl]amino]pentanoic acid
IUPAC NAME: 5-(diaminomethylideneamino)-2-[[3,12-di(butan-2-yl)-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneamino]-2-[[3,12-di(butan-2-yl)-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid
MOLECULAR FORMULA: C46H70N10O10
MOLECULAR WEIGHT: 923.109
SMILES: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(CCCN=C(N)N)C(=O)O)C(C)CC)CCC2=CC=C(C=C2)O)C)CCC3=CC=C(C=C3)O
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Product OPENEYE NAME: 2-[[6,9-bis[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-3-sec-butyl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methyl-pentanoic acid
CAS Name: 2-[[[[3-butan-2-yl-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]amino]-oxomethyl]amino]-3-methylpentanoic acid
IUPAC NAME: 2-[[3-butan-2-yl-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[[3-butan-2-yl-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentakis(oxidanylidene)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C45H67N7O10
MOLECULAR WEIGHT: 866.05438
SMILES: CCC(C)C1C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1)CCC2=CC=C(C=C2)O)C)CCC3=CC=C(C=C3)O)C(C)C)NC(=O)NC(C(C)CC)C(=O)O
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Product OPENEYE NAME: 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C12H17F3N4O4
MOLECULAR WEIGHT: 338.28299
SMILES: CCOCCC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: (5E)-5-(5-chloroindol-2-ylidene)-1,3,4-oxadiazolidin-2-one
CAS Name: (5E)-5-(5-chloro-2-indolylidene)-1,3,4-oxadiazolidin-2-one
IUPAC NAME: (5E)-5-(5-chloroindol-2-ylidene)-1,3,4-oxadiazolidin-2-one
SYSTEMATIC NAME: (5E)-5-(5-chloranylindol-2-ylidene)-1,3,4-oxadiazolidin-2-one
MOLECULAR FORMULA: C10H6ClN3O2
MOLECULAR WEIGHT: 235.62654
SMILES: C1=CC2=N/C(=C/3\NNC(=O)O3)/C=C2C=C1Cl
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Product OPENEYE NAME: N-methyl-N-(1-naphthylmethyl)-3-phenyl-propan-1-amine
CAS Name: N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-1-propanamine
IUPAC NAME: N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylpropan-1-amine
SYSTEMATIC NAME: N-methyl-N-(naphthalen-1-ylmethyl)-3-phenyl-propan-1-amine
MOLECULAR FORMULA: C21H23N
MOLECULAR WEIGHT: 289.41402
SMILES: CN(CCCC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: N-(4-bromophenyl)-5-hexyl-2-hydroxy-3-nitro-benzamide
CAS Name: N-(4-bromophenyl)-5-hexyl-2-hydroxy-3-nitrobenzamide
IUPAC NAME: N-(4-bromophenyl)-5-hexyl-2-hydroxy-3-nitrobenzamide
SYSTEMATIC NAME: N-(4-bromophenyl)-5-hexyl-3-nitro-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H21BrN2O4
MOLECULAR WEIGHT: 421.28504
SMILES: CCCCCCC1=CC(=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)O)[N+](=O)[O-]
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Product OPENEYE NAME: benzyl (E)-4-[methyl(1-naphthylmethyl)amino]but-2-enoate
CAS Name: (E)-4-[methyl(1-naphthalenylmethyl)amino]-2-butenoic acid (phenylmethyl) ester
IUPAC NAME: benzyl (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enoate
SYSTEMATIC NAME: (phenylmethyl) (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enoate
MOLECULAR FORMULA: C23H23NO2
MOLECULAR WEIGHT: 345.43422
SMILES: CN(C/C=C/C(=O)OCC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: N'-[(2-phenyl-7-quinolyl)methyl]ethane-1,2-diamine
CAS Name: N'-[(2-phenyl-7-quinolinyl)methyl]ethane-1,2-diamine
IUPAC NAME: N'-[(2-phenylquinolin-7-yl)methyl]ethane-1,2-diamine
SYSTEMATIC NAME: N'-[(2-phenylquinolin-7-yl)methyl]ethane-1,2-diamine
MOLECULAR FORMULA: C18H19N3
MOLECULAR WEIGHT: 277.36356
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CNCCN)C=C2
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