5-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-3-(1H-indol-3-ylmethyl)-4,6-diketo-1-styryl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(NC(C2C1=O)(CC3=CNC4=CC=CC=C43)C(=O)O)C=CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(NC(C2C1=O)(CC3=CNC4=CC=CC=C43)C(=O)O)C=CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c1-27(2,3)31-24(32)22-21(14-13-17-9-5-4-6-10-17)30-28(26(34)35,23(22)25(31)33)15-18-16-29-20-12-8-7-11-19(18)20/h4-14,16,21-23,29-30H,15H2,1-3H3,(H,34,35)