(3-methylquinoxalin-2-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O4/c1-13-18(24-17-6-4-3-5-16(17)23-13)12-28-21(26)10-8-19(25)15-11-14(22)7-9-20(15)27-2/h3-7,9,11H,8,10,12H2,1-2H3