Thursday, June 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[2-[3-[(E)-[(2-anilino-2-oxo-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[(2-anilino-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[(2-anilino-2-oxoethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[(2-oxidanylidene-2-phenylazanyl-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=N/NCC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-[(E)-acetoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-acetyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-acetyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-acetyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CC(=O)O/N=C/C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[acetoxy-[2-(acetoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl]benzoic acid
CAS Name: 4-[acetyloxy-[2-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl]benzoic acid
IUPAC NAME: 4-[acetyloxy-[2-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[acetyloxy-[2-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl]benzoic acid
MOLECULAR FORMULA: C19H22O7
MOLECULAR WEIGHT: 362.37378
SMILES: CC(=O)OCC1C2CCC(C1C(C3=CC=C(C=C3)C(=O)O)OC(=O)C)O2
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Product OPENEYE NAME: 4-[[3-[(2-propoxycarbonylhydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[[[oxo(propoxy)methyl]hydrazo]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(2-propoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(2-propoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C19H26N2O5
MOLECULAR WEIGHT: 362.42014
SMILES: CCCOC(=O)NNCC1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-(phenylazanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C21H23NO3
MOLECULAR WEIGHT: 337.41222
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)CNC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-[(E)-butoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-butoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-butoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-butoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: CCCCO/N=C/C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: propyl N-(methylamino)carbamate
CAS Name: N-(methylamino)carbamic acid propyl ester
IUPAC NAME: propyl N-(methylamino)carbamate
SYSTEMATIC NAME: propyl N-(methylamino)carbamate
MOLECULAR FORMULA: C5H12N2O2
MOLECULAR WEIGHT: 132.16098
SMILES: CCCOC(=O)NNC
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Product OPENEYE NAME: 4-[[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-hydroxy-3-(1-methylcyclohexyl)prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-3-(1-methylcyclohexyl)-3-oxidanyl-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC1(CCCCC1)C(/C=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[2-[3-[(E)-4-cyclopentyl-3-oxo-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-4-cyclopentyl-3-oxobut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-4-cyclopentyl-3-oxobut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-4-cyclopentyl-3-oxidanylidene-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H30O4
MOLECULAR WEIGHT: 382.4926
SMILES: C1CCC(C1)CC(=O)/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-(1-methylcyclohexyl)-3-oxo-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-(1-methylcyclohexyl)-3-oxoprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-(1-methylcyclohexyl)-3-oxoprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-(1-methylcyclohexyl)-3-oxidanylidene-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC1(CCCCC1)C(=O)/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: N-methylcyclohexanecarbohydrazide
CAS Name: N-methylcyclohexanecarbohydrazide
IUPAC NAME: N-methylcyclohexanecarbohydrazide
SYSTEMATIC NAME: N-methylcyclohexanecarbohydrazide
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: CN(C(=O)C1CCCCC1)N
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Product OPENEYE NAME: 4-[2-[3-[(2-propoxycarbonylhydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[[[oxo(propoxy)methyl]hydrazo]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(2-propoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(2-propoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C20H28N2O5
MOLECULAR WEIGHT: 376.44672
SMILES: CCCOC(=O)NNCC1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-4-(m-tolyl)-3-oxo-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-4-(3-methylphenyl)-3-oxobut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-4-(3-methylphenyl)-3-oxobut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-4-(3-methylphenyl)-3-oxidanylidene-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C26H28O4
MOLECULAR WEIGHT: 404.49812
SMILES: CC1=CC(=CC=C1)CC(=O)/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[[3-[(E)-[benzoyl(ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-[ethyl(phenylcarbonyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: CCN(C(=O)C1=CC=CC=C1)/N=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: ureidomethoxymethylurea
CAS Name: (carbamoylamino)methoxymethylurea
IUPAC NAME: (carbamoylamino)methoxymethylurea
SYSTEMATIC NAME: 1-[(aminocarbonylamino)methoxymethyl]urea
MOLECULAR FORMULA: C4H10N4O3
MOLECULAR WEIGHT: 162.1472
SMILES: C(NC(=O)N)OCNC(=O)N
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Product OPENEYE NAME: ethyl 4-cyano-4-(1-cyano-1-methyl-ethyl)azo-pentanoate
CAS Name: 4-cyano-4-(2-cyanopropan-2-ylazo)pentanoic acid ethyl ester
IUPAC NAME: ethyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate
SYSTEMATIC NAME: ethyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate
MOLECULAR FORMULA: C12H18N4O2
MOLECULAR WEIGHT: 250.29692
SMILES: CCOC(=O)CCC(C)(C#N)N=NC(C)(C)C#N
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