(E)-but-2-enedioic acid; 1-methyl-5-(2-naphthalen-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-5-(2-naphthalen-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one Openeye Name: fumaric acid; 1-methyl-5-[2-(1-naphthyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one CAS Name: (E)-2-butenedioic acid; 1-methyl-5-[2-(1-naphthalenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-5-(2-naphthalen-1-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one Traditional Name: fumaric acid; 1-methyl-5-[2-(1-naphthyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC1=O)C(CCC2)NCCC3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C=CC1=O)C(CCC2)NCCC3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24N2O.C4H4O4/c1-24-21-11-5-10-20(19(21)12-13-22(24)25)23-15-14-17-8-4-7-16-6-2-3-9-18(16)17;5-3(6)1-2-4(7)8/h2-4,6-9,12-13,20,23H,5,10-11,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+