[2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxy-phenyl] (Z)-hexadec-8-enoate

Systemtic Name: [2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxy-phenyl] (Z)-hexadec-8-enoate Openeye Name: [2-[3-(diethylamino)isoxazol-5-yl]-5-methoxy-phenyl] (Z)-hexadec-8-enoate CAS Name: (Z)-8-hexadecenoic acid [2-[3-(diethylamino)-5-isoxazolyl]-5-methoxyphenyl] ester IUPAC Name: [2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxyphenyl] (Z)-hexadec-8-enoate Traditional Name: (Z)-hexadec-8-enoic acid [2-[3-(diethylamino)isoxazol-5-yl]-5-methoxy-phenyl] ester Formula: C30H46N2O4 MolecularWeight: 498.69724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCC(=O)OC1=C(C=CC(=C1)OC)C2=CC(=NO2)N(CC)CC

Isomeric SMILES

CCCCCCC/C=C\CCCCCCC(=O)OC1=C(C=CC(=C1)OC)C2=CC(=NO2)N(CC)CC

InChI

InChI=1S/C30H46N2O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-30(33)35-27-23-25(34-4)21-22-26(27)28-24-29(31-36-28)32(6-2)7-3/h13-14,21-24H,5-12,15-20H2,1-4H3/b14-13-