[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C23H23BrN2O4/c1-15(17-7-9-19(24)10-8-17)25-22(28)14-30-23(29)13-21-20-6-4-3-5-18(20)11-12-26(21)16(2)27/h3-12,15,21H,13-14H2,1-2H3,(H,25,28)