[2-(diethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCN(CC)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H25BrN2O4/c1-5-21(6-2)15(22)11-25-18(24)16(12(3)4)20-17(23)13-7-9-14(19)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,23)/t16-/m0/s1