ethyl (2S)-6-azanyl-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]hexanoate

Systemtic Name: ethyl (2S)-6-azanyl-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]hexanoate Openeye Name: ethyl (2S)-6-amino-2-[[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(E)-1,4-dioxo-4-phenylbut-2-enyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-6-amino-2-[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[(E)-4-keto-4-phenyl-but-2-enoyl]amino]hexanoic acid ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NC(=O)C=CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCCCN)NC(=O)/C=C/C(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H24N2O4/c1-2-24-18(23)15(10-6-7-13-19)20-17(22)12-11-16(21)14-8-4-3-5-9-14/h3-5,8-9,11-12,15H,2,6-7,10,13,19H2,1H3,(H,20,22)/b12-11+/t15-/m0/s1