(2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(4-chlorophenyl)-2-(2-diethylaminoethylamino)-4-keto-butyric acid Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3/c1-3-19(4-2)10-9-18-14(16(21)22)11-15(20)12-5-7-13(17)8-6-12/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,21,22)/t14-/m0/s1