1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-(4-ethylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CC5=CNC6=CC=CC=C65)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CC5=CNC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C31H26N4O4/c1-2-18-9-13-22(14-10-18)35-28(36)25-26(29(35)37)31(30(38)39,15-21-17-33-24-6-4-3-5-23(21)24)34-27(25)20-11-7-19(16-32)8-12-20/h3-14,17,25-27,33-34H,2,15H2,1H3,(H,38,39)