[3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-decoxybenzoate

Systemtic Name: [3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-decoxybenzoate Openeye Name: [3-(4-heptoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [3-(4-heptoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [3-(4-heptoxyphenyl)-2-isoxazolin-5-yl]methyl ester Formula: C34H49NO5 MolecularWeight: 551.75656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OCC2CC(=NO2)C3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OCC2CC(=NO2)C3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C34H49NO5/c1-3-5-7-9-10-11-13-15-25-38-31-22-18-29(19-23-31)34(36)39-27-32-26-33(35-40-32)28-16-20-30(21-17-28)37-24-14-12-8-6-4-2/h16-23,32H,3-15,24-27H2,1-2H3