[5-(2-methyloctan-2-yl)-2-(4-oxidanylidenepentan-2-yl)phenyl] 4-morpholin-4-ylbutanoate

Systemtic Name: [5-(2-methyloctan-2-yl)-2-(4-oxidanylidenepentan-2-yl)phenyl] 4-morpholin-4-ylbutanoate Openeye Name: [5-(1,1-dimethylheptyl)-2-(1-methyl-3-oxo-butyl)phenyl] 4-morpholinobutanoate CAS Name: 4-(4-morpholinyl)butanoic acid [5-(2-methyloctan-2-yl)-2-(4-oxopentan-2-yl)phenyl] ester IUPAC Name: [5-(2-methyloctan-2-yl)-2-(4-oxopentan-2-yl)phenyl] 4-morpholin-4-ylbutanoate Traditional Name: 4-morpholinobutyric acid [5-(1,1-dimethylheptyl)-2-(3-keto-1-methyl-butyl)phenyl] ester Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C(C)CC(=O)C)OC(=O)CCCN2CCOCC2

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C(C)CC(=O)C)OC(=O)CCCN2CCOCC2

InChI

InChI=1S/C28H45NO4/c1-6-7-8-9-14-28(4,5)24-12-13-25(22(2)20-23(3)30)26(21-24)33-27(31)11-10-15-29-16-18-32-19-17-29/h12-13,21-22H,6-11,14-20H2,1-5H3