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

Systemtic Name: (E)-but-2-enedioic acid; [3-(3-phenylpropyl)-9,10-dihydroanthracen-9-yl]methanamine Openeye Name: fumaric acid; [3-(3-phenylpropyl)-9,10-dihydroanthracen-9-yl]methanamine CAS Name: (E)-2-butenedioic acid; [3-(3-phenylpropyl)-9,10-dihydroanthracen-9-yl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [3-(3-phenylpropyl)-9,10-dihydroanthracen-9-yl]methanamine Traditional Name: fumaric acid; [3-(3-phenylpropyl)-9,10-dihydroanthracen-9-yl]methylamine Formula: C28H29NO4 MolecularWeight: 443.53416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C1C=C(C=C3)CCCC4=CC=CC=C4)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C1C=C(C=C3)CCCC4=CC=CC=C4)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H25N.C4H4O4/c25-17-24-22-12-5-4-11-20(22)16-21-15-19(13-14-23(21)24)10-6-9-18-7-2-1-3-8-18;5-3(6)1-2-4(7)8/h1-5,7-8,11-15,24H,6,9-10,16-17,25H2;1-2H,(H,5,6)(H,7,8)/b;2-1+