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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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