5-tert-butyl-4,6-bis(oxidanylidene)-1-(4-phenoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-4,6-bis(oxidanylidene)-1-(4-phenoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(benzyloxymethyl)-5-tert-butyl-4,6-dioxo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-4,6-dioxo-1-(4-phenoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-tert-butyl-4,6-dioxo-1-(4-phenoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(benzoxymethyl)-5-tert-butyl-4,6-diketo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)OC4=CC=CC=C4)(COCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)OC4=CC=CC=C4)(COCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H32N2O6/c1-30(2,3)33-27(34)24-25(28(33)35)31(29(36)37,19-38-18-20-10-6-4-7-11-20)32-26(24)21-14-16-23(17-15-21)39-22-12-8-5-9-13-22/h4-17,24-26,32H,18-19H2,1-3H3,(H,36,37)