Thursday, June 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[2-[3-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C1CCC(CC1)C(/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-hydroxy-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-oxidanyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C26H30O4
MOLECULAR WEIGHT: 406.514
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[2-[3-[(benzyloxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H27NO4
MOLECULAR WEIGHT: 381.46478
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)CNOCC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[3-[(benzyloxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C22H25NO4
MOLECULAR WEIGHT: 367.4382
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)CNOCC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[3-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: C1CCC(CC1)C(/C=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[[3-[(E)-benzyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)/C=N/OCC4=CC=CC=C4
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Product OPENEYE NAME: propyl N-amino-N-methyl-carbamate
CAS Name: N-amino-N-methylcarbamic acid propyl ester
IUPAC NAME: propyl N-amino-N-methylcarbamate
SYSTEMATIC NAME: propyl N-azanyl-N-methyl-carbamate
MOLECULAR FORMULA: C5H12N2O2
MOLECULAR WEIGHT: 132.16098
SMILES: CCCOC(=O)N(C)N
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Product OPENEYE NAME: 4-[[3-[(E)-[(2-cyclohexyl-2-oxo-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[(2-cyclohexyl-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-[(2-cyclohexyl-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-[(2-cyclohexyl-2-oxidanylidene-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C23H30N2O4
MOLECULAR WEIGHT: 398.4953
SMILES: C1CCC(CC1)C(=O)CN/N=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[2-[3-[(E)-[(2-cyclohexyl-2-oxo-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[(2-cyclohexyl-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[(2-cyclohexyl-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[(2-cyclohexyl-2-oxidanylidene-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H32N2O4
MOLECULAR WEIGHT: 412.52188
SMILES: C1CCC(CC1)C(=O)CN/N=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[[3-[(E)-pentoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-pentoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-pentoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-pentoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: CCCCCO/N=C/C1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-(1-methylcyclohexyl)-3-oxidanyl-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C25H34O4
MOLECULAR WEIGHT: 398.53506
SMILES: CC1(CCCCC1)C(/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[2-[3-[(2-pentanoylhydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(1-oxopentylhydrazo)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(2-pentanoylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(2-pentanoylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H30N2O4
MOLECULAR WEIGHT: 374.4739
SMILES: CCCCC(=O)NNCC1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[[3-[2-oxo-2-(3-pyridyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[2-oxo-2-(3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-(2-oxo-2-pyridin-3-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)CC(=O)C4=CN=CC=C4
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Product OPENEYE NAME: 4-[2-[3-(hexylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-(hexylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-(hexylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-(hexylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: CCCCCCNC1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[[3-[(E)-[butylcarbamoyl(ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[[butylamino(oxo)methyl]-ethylhydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-[butylcarbamoyl(ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-[butylcarbamoyl(ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C22H31N3O4
MOLECULAR WEIGHT: 401.49924
SMILES: CCCCNC(=O)N(CC)/N=C/C1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-oxo-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-oxo-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-oxo-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-oxidanylidene-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C26H28O4
MOLECULAR WEIGHT: 404.49812
SMILES: CC(C1=CC=CC=C1)C(=O)/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[[3-[(E)-(2-oxo-1-piperidyl)iminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-(2-oxo-1-piperidinyl)iminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-(2-oxopiperidin-1-yl)iminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-(2-oxidanylidenepiperidin-1-yl)iminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H24N2O4
MOLECULAR WEIGHT: 356.41556
SMILES: C1CCN(C(=O)C1)/N=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[2-[3-[[2-(phenylcarbamoyl)hydrazino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[[[anilino(oxo)methyl]hydrazo]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H27N3O4
MOLECULAR WEIGHT: 409.47818
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)CNNC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-(benzylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(phenylmethyl)amino]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-(benzylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(phenylmethyl)amino]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C22H25NO3
MOLECULAR WEIGHT: 351.4388
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)NCC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-[(E)-(2-oxoheptylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-(2-oxoheptylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-(2-oxoheptylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-(2-oxidanylideneheptylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H32N2O4
MOLECULAR WEIGHT: 400.51118
SMILES: CCCCCC(=O)CN/N=C/C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-[(2-oxo-2-propoxy-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[(2-oxo-2-propoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[(2-oxo-2-propoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[(2-oxidanylidene-2-propoxy-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H28N2O5
MOLECULAR WEIGHT: 388.45742
SMILES: CCCOC(=O)CN/N=C/C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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