(E)-but-2-enedioic acid; N-heptyl-1,2,3,4-tetrahydroacridin-9-amine

Systemtic Name: (E)-but-2-enedioic acid; N-heptyl-1,2,3,4-tetrahydroacridin-9-amine Openeye Name: fumaric acid; N-heptyl-1,2,3,4-tetrahydroacridin-9-amine CAS Name: (E)-2-butenedioic acid; N-heptyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name: (E)-but-2-enedioic acid; N-heptyl-1,2,3,4-tetrahydroacridin-9-amine Traditional Name: fumaric acid; heptyl(1,2,3,4-tetrahydroacridin-9-yl)amine Formula: C44H60N4O4 MolecularWeight: 708.9716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31.CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31.CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C20H28N2.C4H4O4/c2*1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20;5-3(6)1-2-4(7)8/h2*6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+