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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-phenyl-methyl]nipecotic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C22H27NO4/c1-3-27-19-12-11-17(14-20(19)26-2)21(16-8-5-4-6-9-16)23-13-7-10-18(15-23)22(24)25/h4-6,8-9,11-12,14,18,21H,3,7,10,13,15H2,1-2H3,(H,24,25)