ethyl (E)-2-cyano-3-[(3,5-dimethylphenyl)carbonylamino]-3-pyridin-4-yl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(3,5-dimethylphenyl)carbonylamino]-3-pyridin-4-yl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(3,5-dimethylbenzoyl)amino]-3-(4-pyridyl)prop-2-enoate CAS Name: (E)-2-cyano-3-[[(3,5-dimethylphenyl)-oxomethyl]amino]-3-pyridin-4-yl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(3,5-dimethylbenzoyl)amino]-3-pyridin-4-ylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(3,5-dimethylbenzoyl)amino]-3-(4-pyridyl)acrylic acid ethyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=NC=C1)NC(=O)C2=CC(=CC(=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C1=CC=NC=C1)/NC(=O)C2=CC(=CC(=C2)C)C)/C#N

InChI

InChI=1S/C20H19N3O3/c1-4-26-20(25)17(12-21)18(15-5-7-22-8-6-15)23-19(24)16-10-13(2)9-14(3)11-16/h5-11H,4H2,1-3H3,(H,23,24)/b18-17+