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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C(=CC=C2)NC(=O)CN3CCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC2=C(C(C1)C3=CC=CC=C3)C=CC=C2NC(=O)CN4CCCC4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3O.2C4H4O4/c1-24-14-19(17-8-3-2-4-9-17)18-10-7-11-21(20(18)15-24)23-22(26)16-25-12-5-6-13-25;2*5-3(6)1-2-4(7)8/h2-4,7-11,19H,5-6,12-16H2,1H3,(H,23,26);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-