(phenylmethyl) N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Systemtic Name: (phenylmethyl) N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-benzyloxycarbonyl-N-[(4-carbamimidoylphenyl)methyl]carbamate CAS Name: N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-(4-amidinobenzyl)-N-tert-butoxycarbonyl-carbamic acid benzyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)28-20(26)24(13-15-9-11-17(12-10-15)18(22)23)19(25)27-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H3,22,23)