(E)-but-2-enedioic acid; N-[3-(diethylamino)-1-phenyl-propyl]quinoline-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(diethylamino)-1-phenyl-propyl]quinoline-2-carboxamide Openeye Name: N-[3-(diethylamino)-1-phenyl-propyl]quinoline-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3-(diethylamino)-1-phenylpropyl]-2-quinolinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[3-(diethylamino)-1-phenylpropyl]quinoline-2-carboxamide Traditional Name: N-[3-(diethylamino)-1-phenyl-propyl]quinaldamide; fumaric acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCC(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H27N3O.C4H4O4/c1-3-26(4-2)17-16-21(18-10-6-5-7-11-18)25-23(27)22-15-14-19-12-8-9-13-20(19)24-22;5-3(6)1-2-4(7)8/h5-15,21H,3-4,16-17H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+