(E)-but-2-enedioic acid; 4-[2-(3,3-diphenylpropylamino)propyl]phenol

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-(3,3-diphenylpropylamino)propyl]phenol Openeye Name: 4-[2-(3,3-diphenylpropylamino)propyl]phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[2-(3,3-diphenylpropylamino)propyl]phenol IUPAC Name: (E)-but-2-enedioic acid; 4-[2-(3,3-diphenylpropylamino)propyl]phenol Traditional Name: 4-[2-(3,3-diphenylpropylamino)propyl]phenol; fumaric acid Formula: C28H31NO5 MolecularWeight: 461.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H27NO.C4H4O4/c1-19(18-20-12-14-23(26)15-13-20)25-17-16-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22;5-3(6)1-2-4(7)8/h2-15,19,24-26H,16-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+