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

Systemtic Name: 1-[4-[3-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxy-phenyl]ethanone; (E)-but-2-enedioic acid Openeye Name: 1-[4-[3-[4-(1,2-benzoxazol-3-yl)-1-piperidyl]propoxy]-3-methoxy-phenyl]ethanone; fumaric acid CAS Name: 1-[4-[3-[4-(1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone; (E)-2-butenedioic acid IUPAC Name: 1-[4-[3-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1-[4-[3-(4-indoxazen-3-ylpiperidino)propoxy]-3-methoxy-phenyl]ethanone Formula: C28H32N2O8 MolecularWeight: 524.56228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=CC=CC=C43)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=CC=CC=C43)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H28N2O4.C4H4O4/c1-17(27)19-8-9-22(23(16-19)28-2)29-15-5-12-26-13-10-18(11-14-26)24-20-6-3-4-7-21(20)30-25-24;5-3(6)1-2-4(7)8/h3-4,6-9,16,18H,5,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+