1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]nipecotic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6/c1-5-31-22-13-16(8-10-21(22)30-4)23(25-12-6-7-17(15-25)24(26)27)19-14-18(28-2)9-11-20(19)29-3/h8-11,13-14,17,23H,5-7,12,15H2,1-4H3,(H,26,27)