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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(p-tolyl)methyl]nipecotic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c1-14-5-7-15(8-6-14)20(18-12-17(22)9-10-19(18)26-2)23-11-3-4-16(13-23)21(24)25/h5-10,12,16,20H,3-4,11,13H2,1-2H3,(H,24,25)