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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-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 [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 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-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-14-22-20(28-23-14)16-6-8-17(9-7-16)21(26)27-13-19(25)24-11-10-15-4-2-3-5-18(15)12-24/h2-9H,10-13H2,1H3