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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-4,6-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(benzyloxymethyl)-5-(3-chloro-4-methyl-phenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3-(phenylmethoxymethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3-(phenylmethoxymethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(benzoxymethyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H24ClF3N2O5 MolecularWeight: 572.95947

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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)C(F)(F)F)(COCC5=CC=CC=C5)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)C(F)(F)F)(COCC5=CC=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C29H24ClF3N2O5/c1-16-10-11-20(13-21(16)30)35-25(36)22-23(26(35)37)28(27(38)39,15-40-14-17-6-3-2-4-7-17)34-24(22)18-8-5-9-19(12-18)29(31,32)33/h2-13,22-24,34H,14-15H2,1H3,(H,38,39)