Sunday, April 29, 2012

http://ChemLookup.com Compounds




CAS RN: 96682-10-9
CAS Name: 4-benzoyloxybenzoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-benzoyloxybenzoate
IUPAC Name: benzyl 4-benzoyloxybenzoate
SYSTEMATIC NAME: (phenylmethyl) 4-(phenylcarbonyloxy)benzoate
MOLECULAR FORMULA: C21H16O4
MOLECULAR WEIGHT: 332.34934
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
Structure:

CAS RN: 81261-97-4
CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid
OPENEYE Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
SYSTEMATIC NAME: 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)C
Structure:

CAS RN: 81261-77-0
CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid
OPENEYE Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
SYSTEMATIC NAME: 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=CC(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)C
Structure:

CAS RN: 350989-81-0
CAS Name: 2-amino-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4-(4-ethoxyphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C14H15NO3S
MOLECULAR WEIGHT: 277.3388
SMILES: CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)N
Structure:

CAS RN: 350988-88-4
CAS Name: 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-methyl-4-phenyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-methyl-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: CC1=C(C(=C(S1)N)C(=O)OC)C2=CC=CC=C2
Structure:

CAS RN: 6099-03-2
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=CC=C1/C=C/C(=O)O
Structure:

CAS RN: 6138-04-1
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=CC=C1/C=C/C(=O)O
Structure:

CAS RN: 1011-54-7
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=CC=C1/C=C/C(=O)O
Structure:

CAS RN: 702-69-2
CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC(=C(C=C1)/C=C/C(=O)O)OC
Structure:

CAS RN: 6972-61-8
CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC(=C(C=C1)/C=C/C(=O)O)OC
Structure:

CAS RN: 16909-09-4
CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC(=C(C=C1)/C=C/C(=O)O)OC
Structure:

CAS RN: 4074-51-5
CAS Name: 1-(4-propan-2-yloxyphenyl)ethanone
OPENEYE Name: 1-(4-isopropoxyphenyl)ethanone
IUPAC Name: 1-(4-propan-2-yloxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-propan-2-yloxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)C
Structure:

CAS RN: 121124-94-5
CAS Name: 5-bromo-2-phenylmethoxybenzaldehyde
OPENEYE Name: 2-benzyloxy-5-bromo-benzaldehyde
IUPAC Name: 5-bromo-2-phenylmethoxybenzaldehyde
SYSTEMATIC NAME: 5-bromanyl-2-phenylmethoxy-benzaldehyde
MOLECULAR FORMULA: C14H11BrO2
MOLECULAR WEIGHT: 291.13994
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=O
Structure:

CAS RN: 90109-65-2
CAS Name: 3-bromo-4-ethoxy-5-methoxybenzaldehyde
OPENEYE Name: 3-bromo-4-ethoxy-5-methoxy-benzaldehyde
IUPAC Name: 3-bromo-4-ethoxy-5-methoxybenzaldehyde
SYSTEMATIC NAME: 3-bromanyl-4-ethoxy-5-methoxy-benzaldehyde
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: CCOC1=C(C=C(C=C1Br)C=O)OC
Structure:

CAS RN: 32304-29-3
CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)O)OC
Structure:

CAS RN: 87223-77-6
CAS Name: 3-amino-1H-indole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-1H-indole-2-carboxylate
IUPAC Name: ethyl 3-amino-1H-indole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)N
Structure:

CAS RN: 56882-77-0
CAS Name: 5-cyclohexyl-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-cyclohexyl-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-cyclohexyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-cyclohexyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C8H13N3S
MOLECULAR WEIGHT: 183.27392
SMILES: C1CCC(CC1)C2=NN=C(S2)N
Structure:

CAS RN: 5840-43-7
CAS Name: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3
Structure:

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