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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-3-27-20-9-5-4-8-19(20)21(16-10-12-18(26-2)13-11-16)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)