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

Systemtic Name: 1-[bis(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[bis(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[bis(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[bis(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[bis(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6/c1-27-18-7-5-16(13-20(18)29-3)22(24-11-9-15(10-12-24)23(25)26)17-6-8-19(28-2)21(14-17)30-4/h5-8,13-15,22H,9-12H2,1-4H3,(H,25,26)