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

Systemtic Name: 1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[o-tolyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl(o-tolyl)methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

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