Saturday, April 28, 2012

http://ChemLookup.com Compounds




CAS RN: 4392-73-8
CAS Name: 1-(3,4-dimethoxyphenyl)-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-(3,4-dimethoxyphenyl)cyclopentanecarboxylic acid
IUPAC Name: 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: COC1=C(C=C(C=C1)C2(CCCC2)C(=O)O)OC
Structure:

CAS RN: 60176-19-4
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)aniline
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)aniline
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)aniline
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)aniline
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)N)C
Structure:

CAS RN: 313701-94-9
CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid
OPENEYE Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid
IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)OCC(=O)O)C
Structure:

CAS RN: 313701-92-7
CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-2-hydroxybenzoic acid
OPENEYE Name: 5-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoic acid
IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C
Structure:

CAS RN: 142335-64-6
CAS Name: 4-(1-pyrrolidinylmethyl)aniline
OPENEYE Name: 4-(pyrrolidin-1-ylmethyl)aniline
IUPAC Name: 4-(pyrrolidin-1-ylmethyl)aniline
SYSTEMATIC NAME: 4-(pyrrolidin-1-ylmethyl)aniline
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: C1CCN(C1)CC2=CC=C(C=C2)N
Structure:

CAS RN: 51013-67-3
CAS Name: 4-(4-morpholinylmethyl)aniline
OPENEYE Name: 4-(morpholinomethyl)aniline
IUPAC Name: 4-(morpholin-4-ylmethyl)aniline
SYSTEMATIC NAME: 4-(morpholin-4-ylmethyl)aniline
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: C1COCCN1CC2=CC=C(C=C2)N
Structure:

CAS RN: 340312-91-6
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-benzoic acid
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-benzoic acid
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)O)C)C
Structure:

CAS RN: 72145-00-7
CAS Name: 3-(3-methyl-1-pyrazolyl)propanoic acid
OPENEYE Name: 3-(3-methylpyrazol-1-yl)propanoic acid
IUPAC Name: 3-(3-methylpyrazol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(3-methylpyrazol-1-yl)propanoic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=NN(C=C1)CCC(=O)O
Structure:

CAS RN: 5953-82-2
CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-2-methylbenzoic acid
OPENEYE Name: 3-(2,5-dimethylpyrrol-1-yl)-2-methyl-benzoic acid
IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-2-methyl-benzoic acid
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=CC=C(N1C2=CC=CC(=C2C)C(=O)O)C
Structure:

CAS RN: 6299-40-7
CAS Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
OPENEYE Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SYSTEMATIC NAME: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1[C@H](NCC2=CC=CC=C21)CO
Structure:

CAS RN: 18881-17-9
CAS Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
OPENEYE Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SYSTEMATIC NAME: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1[C@H](NCC2=CC=CC=C21)CO
Structure:

CAS RN: 65051-24-3
CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid
OPENEYE Name: 2-[(4-fluorophenyl)methylsulfanyl]acetic acid
IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C9H9FO2S
MOLECULAR WEIGHT: 200.229963
SMILES: C1=CC(=CC=C1CSCC(=O)O)F
Structure:

CAS RN: 5432-90-6
CAS Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
OPENEYE Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
IUPAC Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
SYSTEMATIC NAME: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1[C@H](CNC2=C1C=CC3=CC=CC=C32)O
Structure:

CAS RN: 5423-67-6
CAS Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
OPENEYE Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
IUPAC Name: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
SYSTEMATIC NAME: (3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1[C@H](CNC2=C1C=CC3=CC=CC=C32)O
Structure:

CAS RN: 5432-87-1
CAS Name: (3S)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
OPENEYE Name: (3S)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
IUPAC Name: (3S)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
SYSTEMATIC NAME: (3S)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1[C@@H](CNC2=C1C=CC3=CC=CC=C32)O
Structure:

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