1-[2-(1,2-benzoxazol-3-yl)phenyl]pent-4-en-2-amine; (E)-but-2-enedioic acid

Systemtic Name: 1-[2-(1,2-benzoxazol-3-yl)phenyl]pent-4-en-2-amine; (E)-but-2-enedioic acid Openeye Name: 1-[2-(1,2-benzoxazol-3-yl)phenyl]pent-4-en-2-amine; fumaric acid CAS Name: 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-penten-2-amine; (E)-2-butenedioic acid IUPAC Name: 1-[2-(1,2-benzoxazol-3-yl)phenyl]pent-4-en-2-amine; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1-(2-indoxazen-3-ylbenzyl)but-3-enylamine Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC=CC=C1C2=NOC3=CC=CC=C32)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCC(CC1=CC=CC=C1C2=NOC3=CC=CC=C32)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2O.C4H4O4/c1-2-7-14(19)12-13-8-3-4-9-15(13)18-16-10-5-6-11-17(16)21-20-18;5-3(6)1-2-4(7)8/h2-6,8-11,14H,1,7,12,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+