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

Systemtic Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-3-(cyclohexylmethyl)-5-(4-ethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-3-(cyclohexylmethyl)-5-(4-ethylphenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C36H40N2O6 MolecularWeight: 596.7126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6CCCCC6)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6CCCCC6)C(=O)O

InChI

InChI=1S/C36H40N2O6/c1-3-23-17-19-26(20-18-23)38-33(39)29-30(34(38)40)36(35(41)42,21-24-11-6-4-7-12-24)37-31(29)27-15-10-16-28(43-2)32(27)44-22-25-13-8-5-9-14-25/h5,8-10,13-20,24,29-31,37H,3-4,6-7,11-12,21-22H2,1-2H3,(H,41,42)