(E)-but-2-enedioic acid; 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-ethyl-1-phenyl-3,4-dihydro-1H-isoquinoline; fumaric acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC=CC=C2C1C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCC2=CC=CC=C2C1C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N.C4H4O4/c1-2-18-13-12-14-8-6-7-11-16(14)17(18)15-9-4-3-5-10-15;5-3(6)1-2-4(7)8/h3-11,17H,2,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+