[2,6-dimethoxy-4-[(E)-2-quinolin-4-ylethenyl]phenyl] octanoate

Systemtic Name: [2,6-dimethoxy-4-[(E)-2-quinolin-4-ylethenyl]phenyl] octanoate Openeye Name: [2,6-dimethoxy-4-[(E)-2-(4-quinolyl)vinyl]phenyl] octanoate CAS Name: octanoic acid [2,6-dimethoxy-4-[(E)-2-(4-quinolinyl)ethenyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-[(E)-2-quinolin-4-ylethenyl]phenyl] octanoate Traditional Name: caprylic acid [2,6-dimethoxy-4-[(E)-2-(4-quinolyl)vinyl]phenyl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=NC3=CC=CC=C23)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1OC)/C=C/C2=CC=NC3=CC=CC=C23)OC

InChI

InChI=1S/C27H31NO4/c1-4-5-6-7-8-13-26(29)32-27-24(30-2)18-20(19-25(27)31-3)14-15-21-16-17-28-23-12-10-9-11-22(21)23/h9-12,14-19H,4-8,13H2,1-3H3/b15-14+