[2,2-dimethyl-4-morpholin-4-yl-5-oxidanyl-6-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-3,4-dihydrochromen-3-yl] 3-methylbutanoate

Systemtic Name: [2,2-dimethyl-4-morpholin-4-yl-5-oxidanyl-6-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-3,4-dihydrochromen-3-yl] 3-methylbutanoate Openeye Name: [5-hydroxy-2,2-dimethyl-4-morpholino-6-[(E)-3-oxo-3-(1-piperidyl)prop-1-enyl]chroman-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [5-hydroxy-2,2-dimethyl-4-(4-morpholinyl)-6-[(E)-3-oxo-3-(1-piperidinyl)prop-1-enyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [5-hydroxy-2,2-dimethyl-4-morpholin-4-yl-6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydrochromen-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [5-hydroxy-6-[(E)-3-keto-3-piperidino-prop-1-enyl]-2,2-dimethyl-4-morpholino-chroman-3-yl] ester Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1C(C2=C(C=CC(=C2O)C=CC(=O)N3CCCCC3)OC1(C)C)N4CCOCC4

Isomeric SMILES

CC(C)CC(=O)OC1C(C2=C(C=CC(=C2O)/C=C/C(=O)N3CCCCC3)OC1(C)C)N4CCOCC4

InChI

InChI=1S/C28H40N2O6/c1-19(2)18-23(32)35-27-25(30-14-16-34-17-15-30)24-21(36-28(27,3)4)10-8-20(26(24)33)9-11-22(31)29-12-6-5-7-13-29/h8-11,19,25,27,33H,5-7,12-18H2,1-4H3/b11-9+