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

Systemtic Name: 5-butyl-3-methyl-4,6-bis(oxidanylidene)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-methyl-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-methyl-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-methyl-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-4,6-diketo-3-methyl-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-4-6-11-23-18(24)15-16(19(23)25)21(3,20(26)27)22-17(15)13-7-9-14(10-8-13)28-12-5-2/h7-10,15-17,22H,4-6,11-12H2,1-3H3,(H,26,27)