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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OCC

InChI

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