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Summary

Name:(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
Formula:C19 H15 Br Cl N O3
Formal charge:0
Molecular weight:420.684 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
OpenEye OEToolkits1.7.6(2S)-2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-methoxy-ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChIInChI1.03InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyInChI1.03BNDPDYQQAJUJPY-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.370CO[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1c3ccc(Cl)cc3
SMILESCACTVS3.370CO[CH](C(O)=O)c1c(C)nc2ccc(Br)cc2c1c3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC
SMILESOpenEye OEToolkits1.7.6Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(=O)O)OC