(E)-but-2-enedioic acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one Openeye Name: fumaric acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one CAS Name: (E)-2-butenedioic acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one IUPAC Name: (E)-but-2-enedioic acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one Traditional Name: fumaric acid; 5-(phenethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC1=O)C(CCC2)NCCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1C2=C(C=CC1=O)C(CCC2)NCCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26N2O.C4H4O4/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16;5-3(6)1-2-4(7)8/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+