(2,3-dicyano-4-heptoxy-phenyl) (E)-3-(4-heptylphenyl)prop-2-enoate

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) (E)-3-(4-heptylphenyl)prop-2-enoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) (E)-3-(4-heptylphenyl)prop-2-enoate CAS Name: (E)-3-(4-heptylphenyl)-2-propenoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) (E)-3-(4-heptylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-heptylphenyl)acrylic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C=CC(=O)OC2=C(C(=C(C=C2)OCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)C#N)C#N

InChI

InChI=1S/C31H38N2O3/c1-3-5-7-9-11-13-25-14-16-26(17-15-25)18-21-31(34)36-30-20-19-29(27(23-32)28(30)24-33)35-22-12-10-8-6-4-2/h14-21H,3-13,22H2,1-2H3/b21-18+