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

Systemtic Name: 5-butyl-1-(3-methylphenyl)-4,6-bis(oxidanylidene)-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-isopropyl-1-(m-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-1-(3-methylphenyl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-1-(3-methylphenyl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-isopropyl-4,6-diketo-1-(m-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C)(C(C)C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C)(C(C)C)C(=O)O

InChI

InChI=1S/C21H28N2O4/c1-5-6-10-23-18(24)15-16(19(23)25)21(12(2)3,20(26)27)22-17(15)14-9-7-8-13(4)11-14/h7-9,11-12,15-17,22H,5-6,10H2,1-4H3,(H,26,27)