(E)-but-2-enedioic acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one Openeye Name: fumaric acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one CAS Name: (E)-2-butenedioic acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one Traditional Name: fumaric acid; 1-methyl-5-(3-phenylpropylamino)-5,6,7,8-tetrahydroquinolin-2-one Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC1=O)C(CCC2)NCCCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C=CC1=O)C(CCC2)NCCCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2O.C4H4O4/c1-21-18-11-5-10-17(16(18)12-13-19(21)22)20-14-6-9-15-7-3-2-4-8-15;5-3(6)1-2-4(7)8/h2-4,7-8,12-13,17,20H,5-6,9-11,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+