1-[(3-ethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-phenetyl(2-naphthyl)methyl]nipecotic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-2-29-23-11-5-9-20(16-23)24(26-14-6-10-22(17-26)25(27)28)21-13-12-18-7-3-4-8-19(18)15-21/h3-5,7-9,11-13,15-16,22,24H,2,6,10,14,17H2,1H3,(H,27,28)