(2S)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: (2S)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: (2S)-4-(4-ethylanilino)-2-(3-isopropoxypropylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-ethylanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: (2S)-4-(4-ethylanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: (2S)-4-(4-ethylanilino)-2-(3-isopropoxypropylamino)-4-keto-butyric acid Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCCOC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCCCOC(C)C

InChI

InChI=1S/C18H28N2O4/c1-4-14-6-8-15(9-7-14)20-17(21)12-16(18(22)23)19-10-5-11-24-13(2)3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23)/t16-/m0/s1