(E)-but-2-enedioic acid; N,N-dimethyl-2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine Openeye Name: N,N-dimethyl-2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-(1-phenyl-1-cyclohexa-2,5-dienyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine Traditional Name: dimethyl-[2-(1-phenylcyclohexa-2,5-dien-1-yl)ethyl]amine; fumaric acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1(C=CCC=C1)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC1(C=CCC=C1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21N.C4H4O4/c1-17(2)14-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15;5-3(6)1-2-4(7)8/h3,5-12H,4,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+