2-[[3,3-dimethyl-5-oxidanylidene-6-(3-phenylprop-2-enoyl)cyclohexen-1-yl]amino]propanoate

Systemtic Name: 2-[[3,3-dimethyl-5-oxidanylidene-6-(3-phenylprop-2-enoyl)cyclohexen-1-yl]amino]propanoate Openeye Name: 2-[[3,3-dimethyl-5-oxo-6-(3-phenylprop-2-enoyl)cyclohexen-1-yl]amino]propanoate CAS Name: 2-[[3,3-dimethyl-5-oxo-6-(1-oxo-3-phenylprop-2-enyl)-1-cyclohexenyl]amino]propanoate IUPAC Name: 2-[[3,3-dimethyl-5-oxo-6-(3-phenylprop-2-enoyl)cyclohexen-1-yl]amino]propanoate Traditional Name: 2-[(6-cinnamoyl-5-keto-3,3-dimethyl-cyclohexen-1-yl)amino]propionate Formula: C20H22NO4- MolecularWeight: 340.39298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=CC(CC(=O)C1C(=O)C=CC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(C(=O)[O-])NC1=CC(CC(=O)C1C(=O)C=CC2=CC=CC=C2)(C)C

InChI

InChI=1S/C20H23NO4/c1-13(19(24)25)21-15-11-20(2,3)12-17(23)18(15)16(22)10-9-14-7-5-4-6-8-14/h4-11,13,18,21H,12H2,1-3H3,(H,24,25)/p-1