(4-nitrosooxan-4-yl) 4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoate

Systemtic Name: (4-nitrosooxan-4-yl) 4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoate Openeye Name: (4-nitrosotetrahydropyran-4-yl) 4-[2-(4-isobutylphenyl)propanoyloxy]butanoate CAS Name: 4-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]butanoic acid (4-nitroso-4-oxanyl) ester IUPAC Name: (4-nitrosooxan-4-yl) 4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoate Traditional Name: 4-[2-(4-isobutylphenyl)propanoyloxy]butyric acid (4-nitrosotetrahydropyran-4-yl) ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCC(=O)OC2(CCOCC2)N=O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCC(=O)OC2(CCOCC2)N=O

InChI

InChI=1S/C22H31NO6/c1-16(2)15-18-6-8-19(9-7-18)17(3)21(25)28-12-4-5-20(24)29-22(23-26)10-13-27-14-11-22/h6-9,16-17H,4-5,10-15H2,1-3H3