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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-15-11-16(2)13-18(12-15)22(24-9-7-17(8-10-24)23(25)26)20-6-5-19(27-3)14-21(20)28-4/h5-6,11-14,17,22H,7-10H2,1-4H3,(H,25,26)