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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO7/c1-28-16-8-9-17(20(13-16)30-3)21(25-12-6-7-15(14-25)24(26)27)18-10-11-19(29-2)23(32-5)22(18)31-4/h8-11,13,15,21H,6-7,12,14H2,1-5H3,(H,26,27)