(E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-pyrrolidin-1-yl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-pyrrolidin-1-yl-ethanamide Openeye Name: fumaric acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-pyrrolidin-1-yl-acetamide CAS Name: (E)-2-butenedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-(1-pyrrolidinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-pyrrolidin-1-ylacetamide Traditional Name: fumaric acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N-pyrrolidino-acetamide Formula: C30H35N3O9 MolecularWeight: 581.6136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)N4CCCC4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N(N1CCCC1)C2=CC=CC3=C2CN(CC3C4=CC=CC=C4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3O.2C4H4O4/c1-17(26)25(24-13-6-7-14-24)22-12-8-11-19-20(15-23(2)16-21(19)22)18-9-4-3-5-10-18;2*5-3(6)1-2-4(7)8/h3-5,8-12,20H,6-7,13-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+