2-methylpropyl (E)-2-isocyano-3-[4-(2-methylpropanoylamino)phenyl]prop-2-enoate

Systemtic Name: 2-methylpropyl (E)-2-isocyano-3-[4-(2-methylpropanoylamino)phenyl]prop-2-enoate Openeye Name: isobutyl (E)-2-isocyano-3-[4-(2-methylpropanoylamino)phenyl]prop-2-enoate CAS Name: (E)-2-isocyano-3-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-propenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (E)-2-isocyano-3-[4-(2-methylpropanoylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(isobutyrylamino)phenyl]-2-isocyano-acrylic acid isobutyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)C(C)C)[N+]#[C-]

Isomeric SMILES

CC(C)COC(=O)/C(=C\C1=CC=C(C=C1)NC(=O)C(C)C)/[N+]#[C-]

InChI

InChI=1S/C18H22N2O3/c1-12(2)11-23-18(22)16(19-5)10-14-6-8-15(9-7-14)20-17(21)13(3)4/h6-10,12-13H,11H2,1-4H3,(H,20,21)/b16-10+