methyl (E)-2-cyano-3-[[3-(cyclohexylcarbamoyl)phenyl]amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[[3-(cyclohexylcarbamoyl)phenyl]amino]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-(cyclohexylcarbamoyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-[(cyclohexylamino)-oxomethyl]anilino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[3-(cyclohexylcarbamoyl)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(cyclohexylcarbamoyl)anilino]acrylic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC=CC(=C1)C(=O)NC2CCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C/NC1=CC=CC(=C1)C(=O)NC2CCCCC2)/C#N

InChI

InChI=1S/C18H21N3O3/c1-24-18(23)14(11-19)12-20-16-9-5-6-13(10-16)17(22)21-15-7-3-2-4-8-15/h5-6,9-10,12,15,20H,2-4,7-8H2,1H3,(H,21,22)/b14-12+