[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate CAS Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Traditional Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O4/c1-14(21(26)25-12-11-16-5-3-4-6-19(16)13-25)28-22(27)18-9-7-17(8-10-18)20-23-15(2)24-29-20/h3-10,14H,11-13H2,1-2H3