2-[[5,5-dimethyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid

Systemtic Name: 2-[[5,5-dimethyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid Openeye Name: 2-[[5,5-dimethyl-3-oxo-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid CAS Name: 2-[[5,5-dimethyl-3-oxo-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 2-[[5,5-dimethyl-3-oxo-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid Traditional Name: 2-[[3-keto-5,5-dimethyl-2-[(E)-3-phenylacryloyl]cyclohexen-1-yl]amino]propionic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C(=O)CC(C1)(C)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=O)CC(C1)(C)C)C(=O)/C=C/C2=CC=CC=C2

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/h4-10,13,21H,11-12H2,1-3H3,(H,24,25)/b10-9+