1-[(4-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxyphenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-p-phenetyl-methyl]nipecotic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

InChI

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