methyl 3-phenyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoate Traditional Name: 3-phenyl-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propionic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H20N4O3/c1-27-19(25)11-18(16-5-3-2-4-6-16)23-20(26)17-9-7-15(8-10-17)12-24-14-21-13-22-24/h2-10,13-14,18H,11-12H2,1H3,(H,23,26)