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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-3-methyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-3-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H27ClN2O6 MolecularWeight: 534.98748

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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)OC)OCC5=CC=CC=C5)(C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(C)C(=O)O)Cl

InChI

InChI=1S/C29H27ClN2O6/c1-16-12-13-18(14-20(16)30)32-26(33)22-23(27(32)34)29(2,28(35)36)31-24(22)19-10-7-11-21(37-3)25(19)38-15-17-8-5-4-6-9-17/h4-14,22-24,31H,15H2,1-3H3,(H,35,36)