1-[(3,4-diethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC

InChI

InChI=1S/C27H31NO4/c1-3-31-24-13-12-21(18-25(24)32-4-2)26(28-16-14-20(15-17-28)27(29)30)23-11-7-9-19-8-5-6-10-22(19)23/h5-13,18,20,26H,3-4,14-17H2,1-2H3,(H,29,30)