[4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylcarbamoyl)phenyl] 4-carbamimidoylbenzoate

Systemtic Name: [4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylcarbamoyl)phenyl] 4-carbamimidoylbenzoate Openeye Name: [4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylcarbamoyl)phenyl] 4-carbamimidoylbenzoate CAS Name: 4-carbamimidoylbenzoic acid [4-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylcarbamoyl)phenyl] 4-carbamimidoylbenzoate Traditional Name: 4-amidinobenzoic acid [4-(pyrrolizidin-8-ylmethylcarbamoyl)phenyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCCN2C1)CNC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC2(CCCN2C1)CNC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H26N4O3/c24-20(25)16-3-5-18(6-4-16)22(29)30-19-9-7-17(8-10-19)21(28)26-15-23-11-1-13-27(23)14-2-12-23/h3-10H,1-2,11-15H2,(H3,24,25)(H,26,28)