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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(2,5-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)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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