methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-(2-hydroxyethyl)benzoate

Systemtic Name: methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-(2-hydroxyethyl)benzoate Openeye Name: methyl 3-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]-4-(2-hydroxyethyl)benzoate CAS Name: 4-(2-hydroxyethyl)-3-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-(2-hydroxyethyl)benzoate Traditional Name: 3-[[(E)-N,N'-bis(tert-butoxycarbonyl)amidino]amino]-4-(2-hydroxyethyl)benzoic acid methyl ester Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NC1=C(C=CC(=C1)C(=O)OC)CCO

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N/C(=O)OC(C)(C)C)/NC1=C(C=CC(=C1)C(=O)OC)CCO

InChI

InChI=1S/C21H31N3O7/c1-20(2,3)30-18(27)23-17(24-19(28)31-21(4,5)6)22-15-12-14(16(26)29-7)9-8-13(15)10-11-25/h8-9,12,25H,10-11H2,1-7H3,(H2,22,23,24,27,28)