(E)-but-2-enedioic acid; N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine Openeye Name: N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine Traditional Name: diethyl-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]amine; fumaric acid Formula: C29H34N2O8 MolecularWeight: 538.58886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1CC2=C(C=C(C=C2)C)C(=N1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1N=C(C2=C(C1)C=CC(=C2)C)C3=CC=CC=C3)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2.2C4H4O4/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17;2*5-3(6)1-2-4(7)8/h6-13,19H,4-5,14-15H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+