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

Systemtic Name: [2,2-dimethyl-4-morpholin-4-yl-6-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-5-oxidanyl-3,4-dihydrochromen-3-yl] 2-methylbutanoate Openeye Name: [5-hydroxy-2,2-dimethyl-4-morpholino-6-[(E)-3-morpholino-3-oxo-prop-1-enyl]chroman-3-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [5-hydroxy-2,2-dimethyl-4-(4-morpholinyl)-6-[(E)-3-(4-morpholinyl)-3-oxoprop-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-morpholin-4-yl-3-oxoprop-1-enyl]-3,4-dihydrochromen-3-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [5-hydroxy-6-[(E)-3-keto-3-morpholino-prop-1-enyl]-2,2-dimethyl-4-morpholino-chroman-3-yl] ester Formula: C27H38N2O7 MolecularWeight: 502.59982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1C(C2=C(C=CC(=C2O)C=CC(=O)N3CCOCC3)OC1(C)C)N4CCOCC4

Isomeric SMILES

CCC(C)C(=O)OC1C(C2=C(C=CC(=C2O)/C=C/C(=O)N3CCOCC3)OC1(C)C)N4CCOCC4

InChI

InChI=1S/C27H38N2O7/c1-5-18(2)26(32)35-25-23(29-12-16-34-17-13-29)22-20(36-27(25,3)4)8-6-19(24(22)31)7-9-21(30)28-10-14-33-15-11-28/h6-9,18,23,25,31H,5,10-17H2,1-4H3/b9-7+