1-[(3,4-diethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-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=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OCC

InChI

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