5-butyl-3-(cyclohexylmethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-butyl-3-(cyclohexylmethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-(cyclohexylmethyl)-1-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-(cyclohexylmethyl)-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-(cyclohexylmethyl)-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-(cyclohexylmethyl)-4,6-diketo-1-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C)(CC4CCCCC4)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C)(CC4CCCCC4)C(=O)O

InChI

InChI=1S/C25H34N2O4/c1-3-4-14-27-22(28)19-20(23(27)29)25(24(30)31,15-17-11-6-5-7-12-17)26-21(19)18-13-9-8-10-16(18)2/h8-10,13,17,19-21,26H,3-7,11-12,14-15H2,1-2H3,(H,30,31)