[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)Br

InChI

InChI=1S/C22H21BrN2O4/c1-14-11-17(7-8-19(14)23)24-21(27)13-29-22(28)12-20-18-6-4-3-5-16(18)9-10-25(20)15(2)26/h3-11,20H,12-13H2,1-2H3,(H,24,27)