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

Systemtic Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]prop-2-enamide CAS Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]acrylamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-4-14(2)16-6-8-18(9-7-16)23-21(25)17(13-22)11-15-5-10-20(26-3)19(24)12-15/h5-12,14,24H,4H2,1-3H3,(H,23,25)/b17-11+/t14-/m0/s1