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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3,4-diethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]isonipecotic acid Formula: C24H30ClNO5 MolecularWeight: 447.9517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C24H30ClNO5/c1-4-30-21-8-6-17(14-22(21)31-5-2)23(19-15-18(25)7-9-20(19)29-3)26-12-10-16(11-13-26)24(27)28/h6-9,14-16,23H,4-5,10-13H2,1-3H3,(H,27,28)