3-[3-(aminocarbonylamino)propyl]-1-(5-bromanyl-2-methoxy-phenyl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-1-(5-bromanyl-2-methoxy-phenyl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-5-(o-tolyl)-4,6-dioxo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methoxyphenyl)-3-[3-(carbamoylamino)propyl]-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-3-[3-(carbamoylamino)propyl]-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-4,6-diketo-5-(o-tolyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H27BrN4O6 MolecularWeight: 559.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C25H27BrN4O6/c1-13-6-3-4-7-16(13)30-21(31)18-19(22(30)32)25(23(33)34,10-5-11-28-24(27)35)29-20(18)15-12-14(26)8-9-17(15)36-2/h3-4,6-9,12,18-20,29H,5,10-11H2,1-2H3,(H,33,34)(H3,27,28,35)