methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H18N4O4/c1-26-19(25)14-6-7-16-17(10-14)23(21-20-16)27-12-18(24)22-9-8-13-4-2-3-5-15(13)11-22/h2-7,10H,8-9,11-12H2,1H3