3-butan-2-yl-5-(2,6-diethylphenyl)-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-4,6-dioxo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-5-(2,6-diethylphenyl)-4,6-diketo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H38N2O8 MolecularWeight: 566.64202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(C(C)CC)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(C(C)CC)C(=O)O

InChI

InChI=1S/C31H38N2O8/c1-8-16(4)31(30(37)38)24-23(27(34)33(28(24)35)26-17(9-2)12-11-13-18(26)10-3)25(32-31)20-14-19(39-5)15-21(40-6)22(20)29(36)41-7/h11-16,23-25,32H,8-10H2,1-7H3,(H,37,38)