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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C24H31NO5/c1-4-29-21-11-10-18(16-22(21)30-5-2)23(19-8-6-7-9-20(19)28-3)25-14-12-17(13-15-25)24(26)27/h6-11,16-17,23H,4-5,12-15H2,1-3H3,(H,26,27)