(3S)-1-(4-ethylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-ethylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-ethylbenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-ethylphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-ethylbenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-ethylbenzoyl)nipecotic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H19NO3/c1-2-11-5-7-12(8-6-11)14(17)16-9-3-4-13(10-16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1