(E)-but-2-enedioic acid; 1-[4-[3-[4-(4-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxy-phenyl]ethyl ethanoate

Systemtic Name: (E)-but-2-enedioic acid; 1-[4-[3-[4-(4-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxy-phenyl]ethyl ethanoate Openeye Name: 1-[4-[3-[4-(4-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propoxy]-3-methoxy-phenyl]ethyl acetate; fumaric acid CAS Name: acetic acid 1-[4-[3-[4-(4-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[3-[4-(4-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethyl acetate Traditional Name: acetic acid 1-[4-[3-[4-(4-fluoroindoxazen-3-yl)piperidino]propoxy]-3-methoxy-phenyl]ethyl ester; fumaric acid Formula: C30H35FN2O9 MolecularWeight: 586.605303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C(=CC=C4)F)OC)OC(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C(=CC=C4)F)OC)OC(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H31FN2O5.C4H4O4/c1-17(33-18(2)30)20-8-9-22(24(16-20)31-3)32-15-5-12-29-13-10-19(11-14-29)26-25-21(27)6-4-7-23(25)34-28-26;5-3(6)1-2-4(7)8/h4,6-9,16-17,19H,5,10-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+