1-(4-carbamimidoylphenyl)-3-methyl-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-carbamimidoylphenyl)-3-methyl-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-1-(4-carbamimidoylphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-carbamimidoylphenyl)-3-methyl-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1-(4-carbamimidoylphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-5-benzyl-4,6-diketo-3-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N4O4/c1-22(21(29)30)16-15(17(25-22)13-7-9-14(10-8-13)18(23)24)19(27)26(20(16)28)11-12-5-3-2-4-6-12/h2-10,15-17,25H,11H2,1H3,(H3,23,24)(H,29,30)