[2-butyl-4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] hydrogen carbonate

Systemtic Name: [2-butyl-4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] hydrogen carbonate Openeye Name: [2-butyl-4-(4-carbamimidoylphenyl)-1,3-dioxo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] hydrogen carbonate CAS Name: carbonic acid [2-butyl-4-(4-carbamimidoylphenyl)-1,3-dioxo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] ester IUPAC Name: [2-butyl-4-(4-carbamimidoylphenyl)-1,3-dioxo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] hydrogen carbonate Traditional Name: carbonic acid [4-(4-amidinophenyl)-2-butyl-1,3-diketo-3a,4,6,7,8,8b-hexahydropyrrolo[3,4-a]pyrrolizin-8a-yl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C3(CCCN3C2C4=CC=C(C=C4)C(=N)N)OC(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C3(CCCN3C2C4=CC=C(C=C4)C(=N)N)OC(=O)O

InChI

InChI=1S/C21H26N4O5/c1-2-3-10-24-18(26)14-15(19(24)27)21(30-20(28)29)9-4-11-25(21)16(14)12-5-7-13(8-6-12)17(22)23/h5-8,14-16H,2-4,9-11H2,1H3,(H3,22,23)(H,28,29)