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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-15-7-9-16(10-8-15)20(24-13-5-6-17(14-24)23(25)26)18-11-12-19(27-2)22(29-4)21(18)28-3/h7-12,17,20H,5-6,13-14H2,1-4H3,(H,25,26)