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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(3,4,5-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=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

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

InChI

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