1-[(4-ethoxy-3-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]pipecolinic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4/c1-3-31-23-15-14-19(17-24(23)30-2)25(27-16-7-6-13-22(27)26(28)29)21-12-8-10-18-9-4-5-11-20(18)21/h4-5,8-12,14-15,17,22,25H,3,6-7,13,16H2,1-2H3,(H,28,29)