1-[(2,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(2,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C24H31NO7/c1-28-16-6-7-17(19(12-16)29-2)23(25-10-8-15(9-11-25)24(26)27)18-13-21(31-4)22(32-5)14-20(18)30-3/h6-7,12-15,23H,8-11H2,1-5H3,(H,26,27)