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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(5-chloro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C23H28ClNO6 MolecularWeight: 449.92452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H28ClNO6/c1-28-18-8-7-15(24)10-16(18)22(25-9-5-6-14(13-25)23(26)27)17-11-20(30-3)21(31-4)12-19(17)29-2/h7-8,10-12,14,22H,5-6,9,13H2,1-4H3,(H,26,27)