(E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-2-propan-2-yl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-2-propan-2-yl-chromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-isopropyl-3-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-2-propan-2-ylchromen-4-one Traditional Name: fumaric acid; 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-isopropyl-3-phenyl-chromone Formula: C28H33NO8 MolecularWeight: 511.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(CNC(C)C)O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(CNC(C)C)O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H29NO4.C4H4O4/c1-15(2)24-22(17-8-6-5-7-9-17)23(27)20-11-10-19(12-21(20)29-24)28-14-18(26)13-25-16(3)4;5-3(6)1-2-4(7)8/h5-12,15-16,18,25-26H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+