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

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-amine Openeye Name: N,N-dimethyl-1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(1-phenyl-1-cyclohexa-2,5-dienyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-amine Traditional Name: dimethyl-[1-methyl-2-(1-phenylcyclohexa-2,5-dien-1-yl)ethyl]amine; fumaric acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N.C4H4O4/c1-15(18(2)3)14-17(12-8-5-9-13-17)16-10-6-4-7-11-16;5-3(6)1-2-4(7)8/h4,6-13,15H,5,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+