(E)-but-2-enedioic acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline Openeye Name: fumaric acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline CAS Name: (E)-2-butenedioic acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline Traditional Name: fumaric acid; 2,3,6-trimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CN1C)C(=CC(=C2)C)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC2=C(CN1C)C(=CC(=C2)C)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N.C4H4O4/c1-13-9-16-11-14(2)19(3)12-18(16)17(10-13)15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-10,14H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+