3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2-anilinoethyl)-3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2-anilinoethyl)-3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2-anilinoethyl)-3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2-anilinoethyl)-3-(carboxymethyl)-1-(2-cyanophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4C#N)(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCCN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4C#N)(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H22N4O6/c25-13-14-6-4-5-9-16(14)20-18-19(24(27-20,23(33)34)12-17(29)30)22(32)28(21(18)31)11-10-26-15-7-2-1-3-8-15/h1-9,18-20,26-27H,10-12H2,(H,29,30)(H,33,34)