2-[(2-butanoyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoic acid

Systemtic Name: 2-[(2-butanoyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoic acid Openeye Name: 2-[(2-butanoyl-3-oxo-5-phenyl-cyclohexen-1-yl)amino]propanoic acid CAS Name: 2-[[3-oxo-2-(1-oxobutyl)-5-phenyl-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 2-[(2-butanoyl-3-oxo-5-phenylcyclohexen-1-yl)amino]propanoic acid Traditional Name: 2-[(2-butyryl-3-keto-5-phenyl-cyclohexen-1-yl)amino]propionic acid Formula: C19H23NO4 MolecularWeight: 329.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(C)C(=O)O

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(C)C(=O)O

InChI

InChI=1S/C19H23NO4/c1-3-7-16(21)18-15(20-12(2)19(23)24)10-14(11-17(18)22)13-8-5-4-6-9-13/h4-6,8-9,12,14,20H,3,7,10-11H2,1-2H3,(H,23,24)