(2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-(4-bromophenyl)-2-[3-(diethylamino)propylamino]-4-keto-butyric acid Formula: C17H25BrN2O3 MolecularWeight: 385.296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O3/c1-3-20(4-2)11-5-10-19-15(17(22)23)12-16(21)13-6-8-14(18)9-7-13/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,22,23)/t15-/m0/s1