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

Systemtic Name: [5-(2-methyloctan-2-yl)-2-piperidin-3-yl-phenyl] 4-morpholin-4-ylbutanoate Openeye Name: [5-(1,1-dimethylheptyl)-2-(3-piperidyl)phenyl] 4-morpholinobutanoate CAS Name: 4-(4-morpholinyl)butanoic acid [5-(2-methyloctan-2-yl)-2-(3-piperidinyl)phenyl] ester IUPAC Name: [5-(2-methyloctan-2-yl)-2-piperidin-3-ylphenyl] 4-morpholin-4-ylbutanoate Traditional Name: 4-morpholinobutyric acid [5-(1,1-dimethylheptyl)-2-(3-piperidyl)phenyl] ester Formula: C28H46N2O3 MolecularWeight: 458.67644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCNC2)OC(=O)CCCN3CCOCC3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCNC2)OC(=O)CCCN3CCOCC3

InChI

InChI=1S/C28H46N2O3/c1-4-5-6-7-14-28(2,3)24-12-13-25(23-10-8-15-29-22-23)26(21-24)33-27(31)11-9-16-30-17-19-32-20-18-30/h12-13,21,23,29H,4-11,14-20,22H2,1-3H3