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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C22H26ClNO3/c1-14-7-9-17(15(2)12-14)21(18-13-16(23)8-10-20(18)27-3)24-11-5-4-6-19(24)22(25)26/h7-10,12-13,19,21H,4-6,11H2,1-3H3,(H,25,26)