(E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]prop-2-enamide CAS Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]acrylamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C21H22N2O2/c1-4-15(2)17-8-10-19(11-9-17)23-21(24)18(14-22)12-16-6-5-7-20(13-16)25-3/h5-13,15H,4H2,1-3H3,(H,23,24)/b18-12+/t15-/m0/s1