(4-bromanyl-2-chloranyl-phenyl) 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate CAS Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H15BrClNO3 MolecularWeight: 408.6736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C21)CCC(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1[C@@H](C(=O)NC2=CC=CC=C21)CCC(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H15BrClNO3/c19-13-6-7-16(14(20)10-13)24-17(22)8-5-12-9-11-3-1-2-4-15(11)21-18(12)23/h1-4,6-7,10,12H,5,8-9H2,(H,21,23)/t12-/m0/s1