(1R,2S)-2-[(2-ethanoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(2-ethanoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(2-acetylphenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(2-acetylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(2-acetylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-acetylphenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C16H19NO4/c1-10(18)11-6-4-5-9-14(11)17-15(19)12-7-2-3-8-13(12)16(20)21/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,19)(H,20,21)/t12-,13+/m0/s1