(E)-but-2-enedioate; 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine

Systemtic Name: (E)-but-2-enedioate; 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine Openeye Name: (E)-but-2-enedioate; 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine CAS Name: (E)-2-butenedioate; 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine IUPAC Name: (E)-but-2-enedioate; 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine Traditional Name: 1,2,5-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine fumarate Formula: C18H21NO4-2 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(CN1C)C)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1CC(=C(CN1C)C)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H19N.C4H4O4/c1-11-10-15(3)12(2)9-14(11)13-7-5-4-6-8-13;5-3(6)1-2-4(7)8/h4-8,12H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+