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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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