(E)-but-2-enedioic acid; (phenylmethyl) N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate

Systemtic Name: (E)-but-2-enedioic acid; (phenylmethyl) N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate Openeye Name: benzyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamic acid benzyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C(=CC=C2)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(C2=C(C1)C(=CC=C2)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H24N2O2.C4H4O4/c1-26-15-21(19-11-6-3-7-12-19)20-13-8-14-23(22(20)16-26)25-24(27)28-17-18-9-4-2-5-10-18;5-3(6)1-2-4(7)8/h2-14,21H,15-17H2,1H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+