2-methylbutyl (E)-3-[4-[(4-decoxyphenyl)methyldiazenyl]phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-[(4-decoxyphenyl)methyldiazenyl]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[(4-decoxyphenyl)methylazo]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-decoxyphenyl)methylazo]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[(4-decoxyphenyl)methyldiazenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(4-decoxybenzyl)azophenyl]acrylic acid 2-methylbutyl ester Formula: C31H44N2O3 MolecularWeight: 492.69266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CN=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)CN=NC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C31H44N2O3/c1-4-6-7-8-9-10-11-12-23-35-30-20-15-28(16-21-30)24-32-33-29-18-13-27(14-19-29)17-22-31(34)36-25-26(3)5-2/h13-22,26H,4-12,23-25H2,1-3H3/b22-17+,33-32?