1-[(5-chloranyl-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]isonipecotic acid Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-14-4-6-18(15(2)12-14)21(19-13-17(23)5-7-20(19)27-3)24-10-8-16(9-11-24)22(25)26/h4-7,12-13,16,21H,8-11H2,1-3H3,(H,25,26)