3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(3-methoxy-4-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(3-methoxy-4-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-hydroxy-3-methoxy-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-hydroxy-3-methoxy-phenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C=C4)O)OC)(CC5CCCCC5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C=C4)O)OC)(CC5CCCCC5)C(=O)O

InChI

InChI=1S/C31H38N2O6/c1-4-19-12-9-13-20(5-2)27(19)33-28(35)24-25(29(33)36)31(30(37)38,17-18-10-7-6-8-11-18)32-26(24)21-14-15-22(34)23(16-21)39-3/h9,12-16,18,24-26,32,34H,4-8,10-11,17H2,1-3H3,(H,37,38)