[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl] 2-octoxybenzoate

Systemtic Name: [4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl] 2-octoxybenzoate Openeye Name: [4-[(E)-2-(4-cyanophenyl)vinyl]phenyl] 2-octoxybenzoate CAS Name: 2-octoxybenzoic acid [4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl] 2-octoxybenzoate Traditional Name: 2-octoxybenzoic acid [4-[(E)-2-(4-cyanophenyl)vinyl]phenyl] ester Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C30H31NO3/c1-2-3-4-5-6-9-22-33-29-11-8-7-10-28(29)30(32)34-27-20-18-25(19-21-27)13-12-24-14-16-26(23-31)17-15-24/h7-8,10-21H,2-6,9,22H2,1H3/b13-12+