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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-14-6-8-18(15(2)11-14)21(19-12-17(23)7-9-20(19)27-3)24-10-4-5-16(13-24)22(25)26/h6-9,11-12,16,21H,4-5,10,13H2,1-3H3,(H,25,26)