[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C21H21N3O5/c1-13(2)14-3-5-15(6-4-14)20-23-19(29-24-20)12-28-21(26)16-7-9-17(10-8-16)27-11-18(22)25/h3-10,13H,11-12H2,1-2H3,(H2,22,25)