(E)-but-2-enedioic acid; (3-pentoxy-9,10-dihydroanthracen-9-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; (3-pentoxy-9,10-dihydroanthracen-9-yl)methanamine Openeye Name: fumaric acid; (3-pentoxy-9,10-dihydroanthracen-9-yl)methanamine CAS Name: (E)-2-butenedioic acid; (3-pentoxy-9,10-dihydroanthracen-9-yl)methanamine IUPAC Name: (E)-but-2-enedioic acid; (3-pentoxy-9,10-dihydroanthracen-9-yl)methanamine Traditional Name: (3-amoxy-9,10-dihydroanthracen-9-yl)methylamine; fumaric acid Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)C(C3=CC=CC=C3C2)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)C(C3=CC=CC=C3C2)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO.C4H4O4/c1-2-3-6-11-22-17-9-10-19-16(13-17)12-15-7-4-5-8-18(15)20(19)14-21;5-3(6)1-2-4(7)8/h4-5,7-10,13,20H,2-3,6,11-12,14,21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+