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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-propoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-oxo-2-(4-propoxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-oxo-2-(4-propoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-oxo-2-(4-propoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(4-propoxyphenyl)ethyl]nipecotic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C17H23NO4/c1-2-10-22-15-7-5-13(6-8-15)16(19)12-18-9-3-4-14(11-18)17(20)21/h5-8,14H,2-4,9-12H2,1H3,(H,20,21)/t14-/m0/s1