(3S)-1-[(2-methylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-methylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-(o-tolylmethylcarbamoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(2-methylphenyl)methylamino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2-methylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2-methylbenzyl)carbamoyl]nipecotic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H20N2O3/c1-11-5-2-3-6-12(11)9-16-15(20)17-8-4-7-13(10-17)14(18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,20)(H,18,19)/t13-/m0/s1