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

Systemtic Name: 2-methylbutyl (E)-3-[4-[(4-dodecoxyphenyl)methylideneamino]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[(4-dodecoxyphenyl)methyleneamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-dodecoxyphenyl)methylideneamino]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[(4-dodecoxyphenyl)methylideneamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-lauryloxybenzylidene)amino]phenyl]acrylic acid 2-methylbutyl ester Formula: C33H47NO3 MolecularWeight: 505.73118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C33H47NO3/c1-4-6-7-8-9-10-11-12-13-14-25-36-32-22-17-30(18-23-32)26-34-31-20-15-29(16-21-31)19-24-33(35)37-27-28(3)5-2/h15-24,26,28H,4-14,25,27H2,1-3H3/b24-19+,34-26?