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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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