[(2S)-2-methylbutyl] (E)-3-[4-[(4-cyanophenyl)methylideneamino]phenyl]prop-2-enoate

Systemtic Name: [(2S)-2-methylbutyl] (E)-3-[4-[(4-cyanophenyl)methylideneamino]phenyl]prop-2-enoate Openeye Name: [(2S)-2-methylbutyl] (E)-3-[4-[(4-cyanophenyl)methyleneamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-cyanophenyl)methylideneamino]phenyl]-2-propenoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] (E)-3-[4-[(4-cyanophenyl)methylideneamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-cyanobenzylidene)amino]phenyl]acrylic acid [(2S)-2-methylbutyl] ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)COC(=O)/C=C/C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H22N2O2/c1-3-17(2)16-26-22(25)13-10-18-8-11-21(12-9-18)24-15-20-6-4-19(14-23)5-7-20/h4-13,15,17H,3,16H2,1-2H3/b13-10+,24-15?/t17-/m0/s1