1-[(2,6-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(2,6-dimethoxyphenyl)methyl]nipecotic acid Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

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