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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO4/c1-15-7-8-16(2)19(12-15)22(24-11-5-6-18(14-24)23(25)26)17-9-10-20(27-3)21(13-17)28-4/h7-10,12-13,18,22H,5-6,11,14H2,1-4H3,(H,25,26)