1-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-4-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-4-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-[2-(6-methoxyindan-1-yl)ethyl]-4-oxo-piperidine-3-carboxylic acid CAS Name: 1-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-4-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-4-oxopiperidine-3-carboxylic acid Traditional Name: 4-keto-1-[2-(6-methoxyindan-1-yl)ethyl]nipecotic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC2CCN3CCC(=O)C(C3)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC2CCN3CCC(=O)C(C3)C(=O)O)C=C1

InChI

InChI=1S/C18H23NO4/c1-23-14-5-4-12-2-3-13(15(12)10-14)6-8-19-9-7-17(20)16(11-19)18(21)22/h4-5,10,13,16H,2-3,6-9,11H2,1H3,(H,21,22)