tert-butyl 3-carbamimidoyl-4-(prop-2-ynylamino)benzoate

Systemtic Name: tert-butyl 3-carbamimidoyl-4-(prop-2-ynylamino)benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-(prop-2-ynylamino)benzoate CAS Name: 3-carbamimidoyl-4-(prop-2-ynylamino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-(prop-2-ynylamino)benzoate Traditional Name: 3-amidino-4-(propargylamino)benzoic acid tert-butyl ester Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NCC#C)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NCC#C)C(=N)N

InChI

InChI=1S/C15H19N3O2/c1-5-8-18-12-7-6-10(9-11(12)13(16)17)14(19)20-15(2,3)4/h1,6-7,9,18H,8H2,2-4H3,(H3,16,17)