(3S)-1-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(3,4-dimethylphenyl)-2-keto-ethyl]nipecotic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O)C

InChI

InChI=1S/C16H21NO3/c1-11-5-6-13(8-12(11)2)15(18)10-17-7-3-4-14(9-17)16(19)20/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,19,20)/t14-/m0/s1