tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate; ethanoic acid

Systemtic Name: tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate; ethanoic acid Openeye Name: acetic acid; tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate Traditional Name: acetic acid; N-(4-amidinobenzyl)carbamic acid tert-butyl ester Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(=O)O.CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C13H19N3O2.C2H4O2/c1-13(2,3)18-12(17)16-8-9-4-6-10(7-5-9)11(14)15;1-2(3)4/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17);1H3,(H,3,4)