tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate; 2-methylpropan-2-ol

Systemtic Name: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate; 2-methylpropan-2-ol Openeye Name: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate; 2-methylpropan-2-ol CAS Name: N-[(3-carbamimidoylphenyl)methyl]carbamic acid tert-butyl ester; 2-methyl-2-propanol IUPAC Name: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate; 2-methylpropan-2-ol Traditional Name: N-(3-amidinobenzyl)carbamic acid tert-butyl ester; 2-methylpropan-2-ol Formula: C17H29N3O3 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2.C4H10O/c1-13(2,3)18-12(17)16-8-9-5-4-6-10(7-9)11(14)15;1-4(2,3)5/h4-7H,8H2,1-3H3,(H3,14,15)(H,16,17);5H,1-3H3