phenacyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: phenacyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: phenacyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid phenacyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H20BrNO4/c1-13(2)18(22-19(24)15-10-6-7-11-16(15)21)20(25)26-12-17(23)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m0/s1