(E)-but-2-enedioic acid; 3,3-diphenyl-N-propan-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-propan-2-yl-propan-1-amine Openeye Name: fumaric acid; N-isopropyl-3,3-diphenyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3,3-diphenyl-N-propan-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-propan-2-ylpropan-1-amine Traditional Name: 3,3-diphenylpropyl(isopropyl)amine; fumaric acid Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N.C4H4O4/c1-15(2)19-14-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17;5-3(6)1-2-4(7)8/h3-12,15,18-19H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+