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

Systemtic Name: 1-[(4-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[p-tolyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-tolyl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-15-5-7-16(8-6-15)20(24-13-11-17(12-14-24)23(25)26)18-9-10-19(27-2)22(29-4)21(18)28-3/h5-10,17,20H,11-14H2,1-4H3,(H,25,26)