(1R,2S,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: (1R,2S,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexanecarboxylic acid CAS Name: (1R,2S,3S)-3-[anilino(oxo)methyl]-1,2-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: (1R,2S,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1(C)C(=O)O)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](CCC[C@@]1(C)C(=O)O)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-11-13(9-6-10-16(11,2)15(19)20)14(18)17-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,17,18)(H,19,20)/t11-,13-,16+/m0/s1