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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-3-(cyclohexylmethyl)-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-3-(cyclohexylmethyl)-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-3-(cyclohexylmethyl)-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-3-(cyclohexylmethyl)-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-3-(cyclohexylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H35ClN2O8 MolecularWeight: 599.0712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(CC5CCCCC5)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(CC5CCCCC5)C(=O)O)Cl

InChI

InChI=1S/C31H35ClN2O8/c1-16-10-11-18(12-21(16)32)34-27(35)24-25(28(34)36)31(30(38)39,15-17-8-6-5-7-9-17)33-26(24)20-13-19(40-2)14-22(41-3)23(20)29(37)42-4/h10-14,17,24-26,33H,5-9,15H2,1-4H3,(H,38,39)