1-(5-bromanyl-2-methoxy-phenyl)-5-(3-chloranyl-4-methyl-phenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-5-(3-chloranyl-4-methyl-phenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(5-bromo-2-methoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methoxyphenyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(5-bromo-2-methoxyphenyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(5-bromo-2-methoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H24BrClN2O5 MolecularWeight: 583.85756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=CC=C5)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C28H24BrClN2O5/c1-15-8-10-18(13-20(15)30)32-25(33)22-23(26(32)34)28(27(35)36,14-16-6-4-3-5-7-16)31-24(22)19-12-17(29)9-11-21(19)37-2/h3-13,22-24,31H,14H2,1-2H3,(H,35,36)