[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)Br

InChI

InChI=1S/C20H17BrN2O3/c1-12-7-8-14(16(21)11-12)9-10-18(24)26-13(2)19-22-17-6-4-3-5-15(17)20(25)23-19/h3-11,13H,1-2H3,(H,22,23,25)/b10-9+/t13-/m1/s1