5-(3-chloranyl-4-methyl-phenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1-(2-phenylethenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1-(2-phenylethenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-styryl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-(2-phenylethenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-(2-phenylethenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(3-chloro-4-methyl-phenyl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1-styryl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H26ClN3O4 MolecularWeight: 540.00884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(NC(C3C2=O)(CC4=CNC5=CC=CC=C54)C(=O)O)C=CC6=CC=CC=C6)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(NC(C3C2=O)(CC4=CNC5=CC=CC=C54)C(=O)O)C=CC6=CC=CC=C6)Cl

InChI

InChI=1S/C31H26ClN3O4/c1-18-11-13-21(15-23(18)32)35-28(36)26-25(14-12-19-7-3-2-4-8-19)34-31(30(38)39,27(26)29(35)37)16-20-17-33-24-10-6-5-9-22(20)24/h2-15,17,25-27,33-34H,16H2,1H3,(H,38,39)