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

Systemtic Name: 2-methylbutyl (E)-3-[4-[(4-octoxyphenyl)methylideneamino]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[(4-octoxyphenyl)methyleneamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-octoxyphenyl)methylideneamino]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[(4-octoxyphenyl)methylideneamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-octoxybenzylidene)amino]phenyl]acrylic acid 2-methylbutyl ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C29H39NO3/c1-4-6-7-8-9-10-21-32-28-18-13-26(14-19-28)22-30-27-16-11-25(12-17-27)15-20-29(31)33-23-24(3)5-2/h11-20,22,24H,4-10,21,23H2,1-3H3/b20-15+,30-22?