[8-(2,6-diethyl-4-methyl-phenyl)-7-oxidanylidene-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] (Z)-octadec-9-enoate

Systemtic Name: [8-(2,6-diethyl-4-methyl-phenyl)-7-oxidanylidene-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] (Z)-octadec-9-enoate Openeye Name: [8-(2,6-diethyl-4-methyl-phenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] ester IUPAC Name: [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [8-(2,6-diethyl-4-methyl-phenyl)-7-keto-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] ester Formula: C36H56N2O4 MolecularWeight: 580.84084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C(=O)N2N1CCOCC2)C3=C(C=C(C=C3CC)C)CC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC1=C(C(=O)N2N1CCOCC2)C3=C(C=C(C=C3CC)C)CC

InChI

InChI=1S/C36H56N2O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(39)42-36-34(35(40)37-23-25-41-26-24-38(36)37)33-30(6-2)27-29(4)28-31(33)7-3/h14-15,27-28H,5-13,16-26H2,1-4H3/b15-14-