(E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide Openeye Name: fumaric acid; 2-morpholino-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide CAS Name: (E)-2-butenedioic acid; 2-(4-morpholinyl)-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide Traditional Name: fumaric acid; N-[3-(1-keto-4-phenyl-2-isoquinolyl)propyl]-2-morpholino-acetamide Formula: C28H31N3O7 MolecularWeight: 521.56164

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)NCCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CC(=O)NCCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H27N3O3.C4H4O4/c28-23(18-26-13-15-30-16-14-26)25-11-6-12-27-17-22(19-7-2-1-3-8-19)20-9-4-5-10-21(20)24(27)29;5-3(6)1-2-4(7)8/h1-5,7-10,17H,6,11-16,18H2,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+