tert-butyl 5-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[[(E)-N'-benzyloxycarbonylcarbamimidoyl]carbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 5-[[[(E)-amino(phenylmethoxycarbonylimino)methyl]amino]-oxomethyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[[(E)-N'-carbobenzoxyamidino]carbamoyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(N1)C(=O)NC(=NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(N1)C(=O)N/C(=N/C(=O)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C19H22N4O5/c1-19(2,3)28-16(25)14-10-9-13(21-14)15(24)22-17(20)23-18(26)27-11-12-7-5-4-6-8-12/h4-10,21H,11H2,1-3H3,(H3,20,22,23,24,26)