(3S)-1-(2,3-dimethylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2,3-dimethylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2,3-dimethylphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2,3-dimethylbenzoyl)nipecotic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H19NO3/c1-10-5-3-7-13(11(10)2)14(17)16-8-4-6-12(9-16)15(18)19/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,18,19)/t12-/m0/s1