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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-ethylphenyl)methyl]nipecotic acid Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC(C3)C(=O)O

InChI

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