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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxy-3-chloranyl-phenyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(4-acetoxy-3-chloro-phenyl)benzoate CAS Name: 4-(4-acetyloxy-3-chlorophenyl)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-(4-acetyloxy-3-chlorophenyl)benzoate Traditional Name: 4-(4-acetoxy-3-chloro-phenyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H22ClNO5 MolecularWeight: 463.90958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C26H22ClNO5/c1-17(29)33-24-11-10-21(14-23(24)27)19-6-8-20(9-7-19)26(31)32-16-25(30)28-13-12-18-4-2-3-5-22(18)15-28/h2-11,14H,12-13,15-16H2,1H3