propyl 4-[[5-(methoxymethyl)-1-phenyl-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[5-(methoxymethyl)-1-phenyl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[5-(methoxymethyl)-1-phenyl-triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-(methoxymethyl)-1-phenyl-4-triazolyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(methoxymethyl)-1-phenyltriazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-(methoxymethyl)-1-phenyl-triazole-4-carbonyl]amino]benzoic acid propyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)COC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)COC

InChI

InChI=1S/C21H22N4O4/c1-3-13-29-21(27)15-9-11-16(12-10-15)22-20(26)19-18(14-28-2)25(24-23-19)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,26)