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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(1-naphthyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC

InChI

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