(E)-but-2-enedioic acid; 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenyl-ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenyl-ethanol Openeye Name: fumaric acid; 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenyl-ethanol CAS Name: (E)-2-butenedioic acid; 2-[methyl-[2-(1-pyrrolidinyl)ethyl]amino]-1-phenylethanol IUPAC Name: (E)-but-2-enedioic acid; 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylethanol Traditional Name: fumaric acid; 2-[methyl(2-pyrrolidinoethyl)amino]-1-phenyl-ethanol Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCCC1)CC(C2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCN1CCCC1)CC(C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H24N2O.C4H4O4/c1-16(11-12-17-9-5-6-10-17)13-15(18)14-7-3-2-4-8-14;5-3(6)1-2-4(7)8/h2-4,7-8,15,18H,5-6,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+