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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]nipecotic 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=C2)OC)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O)OCC

InChI

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