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

Systemtic Name: 1-(4-acetyloxyphenyl)-5-(3-chloranyl-4-methyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-5-(3-chloro-4-methyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-5-(3-chloro-4-methylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-5-(3-chloro-4-methylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-5-(3-chloro-4-methyl-phenyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H25ClN2O7 MolecularWeight: 548.971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25ClN2O7/c1-15-3-8-19(13-22(15)30)32-26(35)23-24(27(32)36)29(28(37)38,14-17-4-9-20(34)10-5-17)31-25(23)18-6-11-21(12-7-18)39-16(2)33/h3-13,23-25,31,34H,14H2,1-2H3,(H,37,38)