(E)-but-2-enedioic acid; 2-[1-[di(propan-2-yl)amino]-3-phenyl-propyl]-4-(1-hydroxyethyl)phenol

Systemtic Name: (E)-but-2-enedioic acid; 2-[1-[di(propan-2-yl)amino]-3-phenyl-propyl]-4-(1-hydroxyethyl)phenol Openeye Name: 2-[1-(diisopropylamino)-3-phenyl-propyl]-4-(1-hydroxyethyl)phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[1-[di(propan-2-yl)amino]-3-phenylpropyl]-4-(1-hydroxyethyl)phenol IUPAC Name: (E)-but-2-enedioic acid; 2-[1-[di(propan-2-yl)amino]-3-phenylpropyl]-4-(1-hydroxyethyl)phenol Traditional Name: 2-[1-(diisopropylamino)-3-phenyl-propyl]-4-(1-hydroxyethyl)phenol; fumaric acid Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(CCC1=CC=CC=C1)C2=C(C=CC(=C2)C(C)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(CCC1=CC=CC=C1)C2=C(C=CC(=C2)C(C)O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H33NO2.C4H4O4/c1-16(2)24(17(3)4)22(13-11-19-9-7-6-8-10-19)21-15-20(18(5)25)12-14-23(21)26;5-3(6)1-2-4(7)8/h6-10,12,14-18,22,25-26H,11,13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+