[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H17BrN2O3/c1-13(14-6-9-16(21)10-7-14)22-19(24)12-26-20(25)18-11-8-15-4-2-3-5-17(15)23-18/h2-11,13H,12H2,1H3,(H,22,24)/t13-/m0/s1