1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: 1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC

InChI

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