(E)-but-2-enedioic acid; 3-cyclopentyl-4-(2-morpholin-4-ylethyl)-3-phenyl-1-propan-2-yl-pyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-cyclopentyl-4-(2-morpholin-4-ylethyl)-3-phenyl-1-propan-2-yl-pyrrolidin-2-one Openeye Name: 3-cyclopentyl-1-isopropyl-4-(2-morpholinoethyl)-3-phenyl-pyrrolidin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-cyclopentyl-4-[2-(4-morpholinyl)ethyl]-3-phenyl-1-propan-2-yl-2-pyrrolidinone IUPAC Name: (E)-but-2-enedioic acid; 3-cyclopentyl-4-(2-morpholin-4-ylethyl)-3-phenyl-1-propan-2-ylpyrrolidin-2-one Traditional Name: 3-cyclopentyl-1-isopropyl-4-(2-morpholinoethyl)-3-phenyl-2-pyrrolidone; fumaric acid Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C(C1=O)(C2CCCC2)C3=CC=CC=C3)CCN4CCOCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1CC(C(C1=O)(C2CCCC2)C3=CC=CC=C3)CCN4CCOCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H36N2O2.C4H4O4/c1-19(2)26-18-22(12-13-25-14-16-28-17-15-25)24(23(26)27,21-10-6-7-11-21)20-8-4-3-5-9-20;5-3(6)1-2-4(7)8/h3-5,8-9,19,21-22H,6-7,10-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+