1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[o-phenetyl-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6/c1-5-31-19-9-7-6-8-18(19)22(25-12-10-16(11-13-25)24(26)27)17-14-20(28-2)23(30-4)21(15-17)29-3/h6-9,14-16,22H,5,10-13H2,1-4H3,(H,26,27)