5-chloranyl-4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]-2-methoxy-benzoic acid Formula: C24H28ClN3O4 MolecularWeight: 457.94982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=C(C=C(C(=C3)OC)C(=O)O)Cl

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=C(C=C(C(=C3)OC)C(=O)O)Cl

InChI

InChI=1S/C24H28ClN3O4/c1-27(21-14-22(32-2)19(23(29)30)13-20(21)25)16-24(31)8-11-28(12-9-24)10-7-17-3-5-18(15-26)6-4-17/h3-6,13-14,31H,7-12,16H2,1-2H3,(H,29,30)