(E)-but-2-enedioic acid; [1-(4-oxidanylidene-2-phenyl-chromen-8-yl)oxy-3-(propylamino)propan-2-yl] benzoate

Systemtic Name: (E)-but-2-enedioic acid; [1-(4-oxidanylidene-2-phenyl-chromen-8-yl)oxy-3-(propylamino)propan-2-yl] benzoate Openeye Name: fumaric acid; [1-[(4-oxo-2-phenyl-chromen-8-yl)oxymethyl]-2-(propylamino)ethyl] benzoate CAS Name: benzoic acid [1-[(4-oxo-2-phenyl-1-benzopyran-8-yl)oxy]-3-(propylamino)propan-2-yl] ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; [1-(4-oxo-2-phenylchromen-8-yl)oxy-3-(propylamino)propan-2-yl] benzoate Traditional Name: benzoic acid [1-[(4-keto-2-phenyl-chromen-8-yl)oxymethyl]-2-(propylamino)ethyl] ester; fumaric acid Formula: C32H31NO9 MolecularWeight: 573.58984

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=CC=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCC(COC1=CC=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H27NO5.C4H4O4/c1-2-16-29-18-22(33-28(31)21-12-7-4-8-13-21)19-32-25-15-9-14-23-24(30)17-26(34-27(23)25)20-10-5-3-6-11-20;5-3(6)1-2-4(7)8/h3-15,17,22,29H,2,16,18-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+