(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14(2)23-21(27)22-12-15-8-10-17(11-9-15)20(26)28-13-18-24-19(25-29-18)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,22,23,27)