(2S)-4-[(3-ethylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(3-ethylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(3-ethylanilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(3-ethylanilino)-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(3-ethylanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(3-ethylanilino)-4-keto-2-phenyl-butyrate Formula: C18H18NO3- MolecularWeight: 296.34042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H19NO3/c1-2-13-7-6-10-15(11-13)19-17(20)12-16(18(21)22)14-8-4-3-5-9-14/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)/p-1/t16-/m0/s1