3-(carboxymethyl)-5-(3-chloranyl-4-methyl-phenyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-5-(3-chloranyl-4-methyl-phenyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-(3-chloro-4-methyl-phenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H22ClF3N2O7 MolecularWeight: 602.94239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC5=CC=CC(=C5)C(F)(F)F)(CC(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC5=CC=CC(=C5)C(F)(F)F)(CC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C29H22ClF3N2O7/c1-14-8-9-17(12-20(14)30)35-25(38)22-23(26(35)39)28(27(40)41,13-21(36)37)34-24(22)15-4-2-6-18(10-15)42-19-7-3-5-16(11-19)29(31,32)33/h2-12,22-24,34H,13H2,1H3,(H,36,37)(H,40,41)