methyl 4-[(prop-2-ynylcarbamoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(prop-2-ynylcarbamoylamino)methyl]benzoate Openeye Name: methyl 4-[(prop-2-ynylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(prop-2-ynylamino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(prop-2-ynylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(propargylcarbamoylamino)methyl]benzoic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC#C

InChI

InChI=1S/C13H14N2O3/c1-3-8-14-13(17)15-9-10-4-6-11(7-5-10)12(16)18-2/h1,4-7H,8-9H2,2H3,(H2,14,15,17)