quinolin-8-ylmethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid 8-quinolylmethyl ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrN2O3/c1-14(2)19(25-21(26)17-10-3-4-11-18(17)23)22(27)28-13-16-8-5-7-15-9-6-12-24-20(15)16/h3-12,14,19H,13H2,1-2H3,(H,25,26)/t19-/m0/s1