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

Systemtic Name: 5-butyl-1-(4-dimethylaminophenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-5-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-5-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-5-butyl-1-(4-dimethylaminophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)N(C)C)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)N(C)C)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31N3O4/c1-4-5-15-29-23(30)20-21(24(29)31)26(25(32)33,16-17-9-7-6-8-10-17)27-22(20)18-11-13-19(14-12-18)28(2)3/h6-14,20-22,27H,4-5,15-16H2,1-3H3,(H,32,33)