(1S,2S)-2-[methyl-(phenylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[methyl-(phenylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[benzyl(methyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[benzyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[benzyl(methyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-17(11-12-7-3-2-4-8-12)15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,19,20)/t13-,14-/m0/s1