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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-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-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)C4=NC=CN4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)C4=NC=CN4

InChI

InChI=1S/C21H19N3O3/c25-19(24-12-9-15-3-1-2-4-18(15)13-24)14-27-21(26)17-7-5-16(6-8-17)20-22-10-11-23-20/h1-8,10-11H,9,12-14H2,(H,22,23)