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

Systemtic Name: 1-(2-cyanophenyl)-3-(1H-indol-3-ylmethyl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-3-(1H-indol-3-ylmethyl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)-3-(1H-indol-3-ylmethyl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-cyanophenyl)-3-(1H-indol-3-ylmethyl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-carbomethoxybenzyl)-1-(2-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C32H26N4O6 MolecularWeight: 562.57204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4C#N)(CC5=CNC6=CC=CC=C65)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4C#N)(CC5=CNC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C32H26N4O6/c1-42-30(39)19-12-10-18(11-13-19)17-36-28(37)25-26(29(36)38)32(31(40)41,14-21-16-34-24-9-5-4-7-22(21)24)35-27(25)23-8-3-2-6-20(23)15-33/h2-13,16,25-27,34-35H,14,17H2,1H3,(H,40,41)