methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(phenylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(phenylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-benzyl-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(phenylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-benzyl-3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2)N(/C(=N\C(=O)OC)/N)C(=O)OC

InChI

InChI=1S/C18H20N4O6/c1-26-15(23)13-14(12(10-20-13)9-11-7-5-4-6-8-11)22(18(25)28-3)16(19)21-17(24)27-2/h4-8,10,20H,9H2,1-3H3,(H2,19,21,24)