(3E)-7-[5-methoxy-6,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-methyl-3-[1-[3-(4-pyridin-3-ylimidazol-1-yl)propoxyamino]ethylidene]chromene-2,4-dione

Systemtic Name: (3E)-7-[5-methoxy-6,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-methyl-3-[1-[3-(4-pyridin-3-ylimidazol-1-yl)propoxyamino]ethylidene]chromene-2,4-dione Openeye Name: (3E)-7-(3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-8-methyl-3-[1-[3-[4-(3-pyridyl)imidazol-1-yl]propoxyamino]ethylidene]chromane-2,4-dione CAS Name: (3E)-7-[(3,4-dihydroxy-5-methoxy-6,6-dimethyl-2-oxanyl)oxy]-8-methyl-3-[1-[3-[4-(3-pyridinyl)-1-imidazolyl]propoxyamino]ethylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-7-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-8-methyl-3-[1-[3-(4-pyridin-3-ylimidazol-1-yl)propoxyamino]ethylidene]chromene-2,4-dione Traditional Name: (3E)-7-(3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-8-methyl-3-[1-[3-[4-(3-pyridyl)imidazol-1-yl]propoxyamino]ethylidene]chroman-2,4-quinone Formula: C31H36N4O9 MolecularWeight: 608.63894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C(=C(C)NOCCCN3C=C(N=C3)C4=CN=CC=C4)C2=O)OC5C(C(C(C(O5)(C)C)OC)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)/C(=C(\C)/NOCCCN3C=C(N=C3)C4=CN=CC=C4)/C2=O)OC5C(C(C(C(O5)(C)C)OC)O)O

InChI

InChI=1S/C31H36N4O9/c1-17-22(42-30-26(38)25(37)28(40-5)31(3,4)44-30)10-9-20-24(36)23(29(39)43-27(17)20)18(2)34-41-13-7-12-35-15-21(33-16-35)19-8-6-11-32-14-19/h6,8-11,14-16,25-26,28,30,34,37-38H,7,12-13H2,1-5H3/b23-18+