[5-(2-methyloctan-2-yl)-2-(3-oxidanylcyclohexyl)phenyl] 4-morpholin-4-ylbutanoate

Systemtic Name: [5-(2-methyloctan-2-yl)-2-(3-oxidanylcyclohexyl)phenyl] 4-morpholin-4-ylbutanoate Openeye Name: [5-(1,1-dimethylheptyl)-2-(3-hydroxycyclohexyl)phenyl] 4-morpholinobutanoate CAS Name: 4-(4-morpholinyl)butanoic acid [2-(3-hydroxycyclohexyl)-5-(2-methyloctan-2-yl)phenyl] ester IUPAC Name: [2-(3-hydroxycyclohexyl)-5-(2-methyloctan-2-yl)phenyl] 4-morpholin-4-ylbutanoate Traditional Name: 4-morpholinobutyric acid [5-(1,1-dimethylheptyl)-2-(3-hydroxycyclohexyl)phenyl] ester Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)OC(=O)CCCN3CCOCC3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)OC(=O)CCCN3CCOCC3

InChI

InChI=1S/C29H47NO4/c1-4-5-6-7-15-29(2,3)24-13-14-26(23-10-8-11-25(31)21-23)27(22-24)34-28(32)12-9-16-30-17-19-33-20-18-30/h13-14,22-23,25,31H,4-12,15-21H2,1-3H3