Sunday, April 29, 2012

http://ChemLookup.com Compounds




CAS RN: 5048-82-8
CAS Name: (E)-3-(4-aminophenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N
Structure:

CAS RN: 4756-25-6
CAS Name: (2S)-1,1-diphenylpropane-1,2-diol
OPENEYE Name: (2S)-1,1-diphenylpropane-1,2-diol
IUPAC Name: (2S)-1,1-diphenylpropane-1,2-diol
SYSTEMATIC NAME: (2S)-1,1-diphenylpropane-1,2-diol
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O
Structure:

CAS RN: 164654-49-3
CAS Name: N-bis(phenylmethoxy)phosphino-N-methylmethanamine
OPENEYE Name: N-dibenzyloxyphosphanyl-N-methyl-methanamine
IUPAC Name: N-bis(phenylmethoxy)phosphanyl-N-methylmethanamine
SYSTEMATIC NAME: N-bis(phenylmethoxy)phosphanyl-N-methyl-methanamine
MOLECULAR FORMULA: C16H20NO2P
MOLECULAR WEIGHT: 289.309261
SMILES: CN(C)P(OCC1=CC=CC=C1)OCC2=CC=CC=C2
Structure:

CAS RN: 92394-00-8
CAS Name: 1-[4-(4-aminophenyl)-1-piperazinyl]ethanone
OPENEYE Name: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
IUPAC Name: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
Structure:

CAS RN: 93214-96-1
CAS Name: 1-[4-(4-aminophenyl)-1-piperazinyl]ethanone
OPENEYE Name: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
IUPAC Name: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
Structure:

CAS RN: 51486-13-6
CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C13H18N2O2S2
MOLECULAR WEIGHT: 298.42422
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC
Structure:

CAS RN: 37669-78-6
CAS Name: 2,4-dimethyl-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2,4-dimethylpyridine-3-carboxylate
IUPAC Name: ethyl 2,4-dimethylpyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2,4-dimethylpyridine-3-carboxylate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCOC(=O)C1=C(C=CN=C1C)C
Structure:

CAS RN: 105536-22-9
CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonamide
OPENEYE Name: 2,4,6-triisopropylbenzenesulfonamide
IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 2,4,6-tri(propan-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C15H25NO2S
MOLECULAR WEIGHT: 283.4295
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N)C(C)C
Structure:

CAS RN: 69038-81-9
CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-ethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-ethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-ethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CCOC1=CC=CC=C1/C=C/C(=O)O
Structure:

CAS RN: 3695-93-0
CAS Name: (E)-2-(4-chlorophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: (E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: (E)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl
Structure:

CAS RN: 6273-12-7
CAS Name: (Z)-2-(4-chlorophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl
Structure:

CAS RN: 3695-93-0
CAS Name: (Z)-2-(4-chlorophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl
Structure:

CAS RN: 22222-86-2
CAS Name: 1-[4-(1-pyrrolidinyl)phenyl]ethanone
OPENEYE Name: 1-(4-pyrrolidin-1-ylphenyl)ethanone
IUPAC Name: 1-(4-pyrrolidin-1-ylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-pyrrolidin-1-ylphenyl)ethanone
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CC(=O)C1=CC=C(C=C1)N2CCCC2
Structure:

CAS RN: 91599-79-0
CAS Name: (4S)-4-(phenylmethyl)-2-oxazolidinone
OPENEYE Name: (4S)-4-benzyloxazolidin-2-one
IUPAC Name: (4S)-4-benzyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1[C@@H](NC(=O)O1)CC2=CC=CC=C2
Structure:

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