5-[[1,2-bis(4-methoxyphenyl)-2-oxidanyl-ethyl]amino]pentan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 5-[[1,2-bis(4-methoxyphenyl)-2-oxidanyl-ethyl]amino]pentan-1-ol; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 5-[[2-hydroxy-1,2-bis(4-methoxyphenyl)ethyl]amino]pentan-1-ol CAS Name: (E)-2-butenedioic acid; 5-[[2-hydroxy-1,2-bis(4-methoxyphenyl)ethyl]amino]-1-pentanol IUPAC Name: (E)-but-2-enedioic acid; 5-[[2-hydroxy-1,2-bis(4-methoxyphenyl)ethyl]amino]pentan-1-ol Traditional Name: fumaric acid; 5-[[2-hydroxy-1,2-bis(4-methoxyphenyl)ethyl]amino]pentan-1-ol Formula: C25H33NO8 MolecularWeight: 475.53142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)O)NCCCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)O)NCCCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29NO4.C4H4O4/c1-25-18-10-6-16(7-11-18)20(22-14-4-3-5-15-23)21(24)17-8-12-19(26-2)13-9-17;5-3(6)1-2-4(7)8/h6-13,20-24H,3-5,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+