(E)-2-methylbut-2-enedioic acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine

Systemtic Name: (E)-2-methylbut-2-enedioic acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine Openeye Name: (E)-2-methylbut-2-enedioic acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine CAS Name: (E)-2-methyl-2-butenedioic acid; 1-methyl-N-phenethyl-4-phenyl-2-pyrrolidinimine IUPAC Name: (E)-2-methylbut-2-enedioic acid; 1-methyl-N-phenethyl-4-phenylpyrrolidin-2-imine Traditional Name: mesaconic acid; (1-methyl-4-phenyl-pyrrolidin-2-ylidene)-phenethyl-amine Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)O.CN1CC(CC1=NCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)O)/C(=O)O.CN1CC(CC1=NCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2.C5H6O4/c1-21-15-18(17-10-6-3-7-11-17)14-19(21)20-13-12-16-8-4-2-5-9-16;1-3(5(8)9)2-4(6)7/h2-11,18H,12-15H2,1H3;2H,1H3,(H,6,7)(H,8,9)/b;3-2+