(E)-but-2-enedioic acid; 1-(2-ethoxy-4-methoxy-quinolin-6-yl)-2-(4-phenylbutan-2-ylamino)ethanol

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-ethoxy-4-methoxy-quinolin-6-yl)-2-(4-phenylbutan-2-ylamino)ethanol Openeye Name: 1-(2-ethoxy-4-methoxy-6-quinolyl)-2-[(1-methyl-3-phenyl-propyl)amino]ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-ethoxy-4-methoxy-6-quinolinyl)-2-(4-phenylbutan-2-ylamino)ethanol IUPAC Name: (E)-but-2-enedioic acid; 1-(2-ethoxy-4-methoxyquinolin-6-yl)-2-(4-phenylbutan-2-ylamino)ethanol Traditional Name: 1-(2-ethoxy-4-methoxy-6-quinolyl)-2-[(1-methyl-3-phenyl-propyl)amino]ethanol; fumaric acid Formula: C28H34N2O7 MolecularWeight: 510.57876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C=C2)C(CNC(C)CCC3=CC=CC=C3)O)C(=C1)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=NC2=C(C=C(C=C2)C(CNC(C)CCC3=CC=CC=C3)O)C(=C1)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H30N2O3.C4H4O4/c1-4-29-24-15-23(28-3)20-14-19(12-13-21(20)26-24)22(27)16-25-17(2)10-11-18-8-6-5-7-9-18;5-3(6)1-2-4(7)8/h5-9,12-15,17,22,25,27H,4,10-11,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+