1-butyl-2-(1H-indol-3-yl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-butyl-2-(1H-indol-3-yl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-butyl-2-(1H-indol-3-yl)-6-oxo-piperidine-3-carboxylic acid CAS Name: 1-butyl-2-(1H-indol-3-yl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-butyl-2-(1H-indol-3-yl)-6-oxopiperidine-3-carboxylic acid Traditional Name: 1-butyl-2-(1H-indol-3-yl)-6-keto-nipecotic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H22N2O3/c1-2-3-10-20-16(21)9-8-13(18(22)23)17(20)14-11-19-15-7-5-4-6-12(14)15/h4-7,11,13,17,19H,2-3,8-10H2,1H3,(H,22,23)