3-[[2,6-bis(prop-2-enyl)phenyl]-(3-oxidanylidenebutanoyl)amino]-2-methyl-propanoic acid

Systemtic Name: 3-[[2,6-bis(prop-2-enyl)phenyl]-(3-oxidanylidenebutanoyl)amino]-2-methyl-propanoic acid Openeye Name: 3-[2,6-diallyl-N-(3-oxobutanoyl)anilino]-2-methyl-propanoic acid CAS Name: 3-[N-(1,3-dioxobutyl)-2,6-bis(prop-2-enyl)anilino]-2-methylpropanoic acid IUPAC Name: 2-methyl-3-[N-(3-oxobutanoyl)-2,6-bis(prop-2-enyl)anilino]propanoic acid Traditional Name: 3-(N-acetoacetyl-2,6-diallyl-anilino)-2-methyl-propionic acid Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1=C(C=CC=C1CC=C)CC=C)C(=O)CC(=O)C)C(=O)O

Isomeric SMILES

CC(CN(C1=C(C=CC=C1CC=C)CC=C)C(=O)CC(=O)C)C(=O)O

InChI

InChI=1S/C20H25NO4/c1-5-8-16-10-7-11-17(9-6-2)19(16)21(13-14(3)20(24)25)18(23)12-15(4)22/h5-7,10-11,14H,1-2,8-9,12-13H2,3-4H3,(H,24,25)