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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-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/c1-5-31-21-14-16(11-12-19(21)28-2)22(25-13-7-8-17(15-25)24(26)27)18-9-6-10-20(29-3)23(18)30-4/h6,9-12,14,17,22H,5,7-8,13,15H2,1-4H3,(H,26,27)