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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

InChI

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