(E)-but-2-enedioic acid; 2-(4-methylphenyl)-1-phenyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methylphenyl)-1-phenyl-propan-2-amine Openeye Name: fumaric acid; 1-phenyl-2-(p-tolyl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 2-(4-methylphenyl)-1-phenyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylphenyl)-1-phenylpropan-2-amine Traditional Name: fumaric acid; [1-methyl-2-phenyl-1-(p-tolyl)ethyl]amine Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(CC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(CC2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N.C4H4O4/c1-13-8-10-15(11-9-13)16(2,17)12-14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-11H,12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+