(1S,2R)-2-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-(p-tolylmethylcarbamoyl)cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(4-methylphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(4-methylbenzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16(19)20/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)(H,19,20)/t13-,14+/m1/s1