(E)-but-2-enedioic acid; ethyl 2-(2-diethylaminoethyl)-7-methoxy-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 2-(2-diethylaminoethyl)-7-methoxy-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: ethyl 2-(2-diethylaminoethyl)-7-methoxy-1-oxo-isoquinoline-4-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-diethylaminoethyl)-7-methoxy-1-oxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 2-(2-diethylaminoethyl)-7-methoxy-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(2-diethylaminoethyl)-1-keto-7-methoxy-isoquinoline-4-carboxylic acid ethyl ester; fumaric acid Formula: C23H30N2O8 MolecularWeight: 462.4929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4.C4H4O4/c1-5-20(6-2)10-11-21-13-17(19(23)25-7-3)15-9-8-14(24-4)12-16(15)18(21)22;5-3(6)1-2-4(7)8/h8-9,12-13H,5-7,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+