(1S,2S)-2-[(3,4-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(3,4-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(3,4-dimethylphenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(3,4-dimethylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(3,4-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(3,4-dimethylphenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCCC2C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)C

InChI

InChI=1S/C16H21NO3/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(19)20/h7-9,13-14H,3-6H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1