1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]isonipecotic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OC

InChI

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