(E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)isoquinolin-1-one Openeye Name: 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2-diethylaminoethyl)-7-methoxy-4-(4-methoxyphenyl)isocarbostyril; fumaric acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N2O3.C4H4O4/c1-5-24(6-2)13-14-25-16-22(17-7-9-18(27-3)10-8-17)20-12-11-19(28-4)15-21(20)23(25)26;5-3(6)1-2-4(7)8/h7-12,15-16H,5-6,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+