ethyl (E)-3-[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[[(1S)-1-methylpropyl]carbamoyl]anilino]prop-2-enoate CAS Name: (E)-3-[2-[[[(2S)-butan-2-yl]amino]-oxomethyl]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[[(2S)-butan-2-yl]carbamoyl]anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[[(1S)-1-methylpropyl]carbamoyl]anilino]acrylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC=C(C#N)C(=O)OCC

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C17H21N3O3/c1-4-12(3)20-16(21)14-8-6-7-9-15(14)19-11-13(10-18)17(22)23-5-2/h6-9,11-12,19H,4-5H2,1-3H3,(H,20,21)/b13-11+/t12-/m0/s1