3-chloranyl-4-[[3-[4-(2-methoxyphenyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[[3-[4-(2-methoxyphenyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-chloro-4-[[2-hydroxy-1-[[4-(2-methoxyphenyl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 3-chloro-4-[[[1-hydroxy-3-[4-(2-methoxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-chloro-4-[[1-hydroxy-3-[4-(2-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-chloro-4-[[2-hydroxy-2-keto-1-[4-(2-methoxyphenyl)benzyl]ethyl]carbamoyl]benzoic acid Formula: C24H20ClNO6 MolecularWeight: 453.8717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C24H20ClNO6/c1-32-21-5-3-2-4-17(21)15-8-6-14(7-9-15)12-20(24(30)31)26-22(27)18-11-10-16(23(28)29)13-19(18)25/h2-11,13,20H,12H2,1H3,(H,26,27)(H,28,29)(H,30,31)