ethyl (E)-2-cyano-3-[[4-(3-methylbutanoylamino)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-(3-methylbutanoylamino)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(3-methylbutanoylamino)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(3-methyl-1-oxobutyl)amino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(3-methylbutanoylamino)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(isovalerylamino)anilino]acrylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)NC(=O)CC(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)NC(=O)CC(C)C)/C#N

InChI

InChI=1S/C17H21N3O3/c1-4-23-17(22)13(10-18)11-19-14-5-7-15(8-6-14)20-16(21)9-12(2)3/h5-8,11-12,19H,4,9H2,1-3H3,(H,20,21)/b13-11+