ethyl 4-[2-(3-bromanyl-2,8-dimethyl-4-oxidanylidene-quinolin-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-bromanyl-2,8-dimethyl-4-oxidanylidene-quinolin-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-bromo-2,8-dimethyl-4-oxo-1-quinolyl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-bromo-2,8-dimethyl-4-oxo-1-quinolinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-bromo-4-keto-2,8-dimethyl-1-quinolyl)acetyl]amino]benzoic acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=O)C3=C2C(=CC=C3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=O)C3=C2C(=CC=C3)C)Br)C

InChI

InChI=1S/C22H21BrN2O4/c1-4-29-22(28)15-8-10-16(11-9-15)24-18(26)12-25-14(3)19(23)21(27)17-7-5-6-13(2)20(17)25/h5-11H,4,12H2,1-3H3,(H,24,26)