4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid

Systemtic Name: 4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid Openeye Name: 2-benzyl-4-(4-carbamimidoylphenyl)-1,3-dioxo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid CAS Name: 4-(4-carbamimidoylphenyl)-1,3-dioxo-2-(phenylmethyl)-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid IUPAC Name: 2-benzyl-4-(4-carbamimidoylphenyl)-1,3-dioxo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-2-benzyl-1,3-diketo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizine-8a-carboxylic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC2(C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H24N4O4/c25-20(26)16-9-7-15(8-10-16)19-17-18(24(23(31)32)11-4-12-28(19)24)22(30)27(21(17)29)13-14-5-2-1-3-6-14/h1-3,5-10,17-19H,4,11-13H2,(H3,25,26)(H,31,32)