4-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-chloranyl-phenyl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-chloranyl-phenyl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[3-chloro-4-[(1S)-1-methylpropoxy]phenyl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[3-chloro-4-[(1S)-1-methylpropoxy]phenyl]-1-cyano-vinyl]benzoate Formula: C20H17ClNO3- MolecularWeight: 354.80688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])Cl

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])Cl

InChI

InChI=1S/C20H18ClNO3/c1-3-13(2)25-19-9-4-14(11-18(19)21)10-17(12-22)15-5-7-16(8-6-15)20(23)24/h4-11,13H,3H2,1-2H3,(H,23,24)/p-1/b17-10-/t13-/m0/s1