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

Systemtic Name: 3-chloranyl-4-[[1-methoxy-3-[4-(2-methoxyphenyl)phenyl]-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-chloro-4-[[2-methoxy-1-[[4-(2-methoxyphenyl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 3-chloro-4-[[[1-methoxy-3-[4-(2-methoxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-chloro-4-[[1-methoxy-3-[4-(2-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-chloro-4-[[2-keto-2-methoxy-1-[4-(2-methoxyphenyl)benzyl]ethyl]carbamoyl]benzoic acid Formula: C25H22ClNO6 MolecularWeight: 467.89828

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22ClNO6/c1-32-22-6-4-3-5-18(22)16-9-7-15(8-10-16)13-21(25(31)33-2)27-23(28)19-12-11-17(24(29)30)14-20(19)26/h3-12,14,21H,13H2,1-2H3,(H,27,28)(H,29,30)