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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-isopropylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-p-cumenyl-methyl]nipecotic acid Formula: C23H28ClNO3 MolecularWeight: 401.92632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO3/c1-15(2)16-6-8-17(9-7-16)22(20-13-19(24)10-11-21(20)28-3)25-12-4-5-18(14-25)23(26)27/h6-11,13,15,18,22H,4-5,12,14H2,1-3H3,(H,26,27)