(E)-but-2-enedioic acid; N,N-dimethyl-1-(5-methyl-2-naphthalen-1-yl-3-oxidanyl-imidazol-4-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(5-methyl-2-naphthalen-1-yl-3-oxidanyl-imidazol-4-yl)methanamine Openeye Name: fumaric acid; 1-[3-hydroxy-5-methyl-2-(1-naphthyl)imidazol-4-yl]-N,N-dimethyl-methanamine CAS Name: (E)-2-butenedioic acid; 1-[3-hydroxy-5-methyl-2-(1-naphthalenyl)-4-imidazolyl]-N,N-dimethylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(3-hydroxy-5-methyl-2-naphthalen-1-ylimidazol-4-yl)-N,N-dimethylmethanamine Traditional Name: fumaric acid; [3-hydroxy-5-methyl-2-(1-naphthyl)imidazol-4-yl]methyl-dimethyl-amine Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C2=CC=CC3=CC=CC=C32)O)CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N(C(=N1)C2=CC=CC3=CC=CC=C32)O)CN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3O.C4H4O4/c1-12-16(11-19(2)3)20(21)17(18-12)15-10-6-8-13-7-4-5-9-14(13)15;5-3(6)1-2-4(7)8/h4-10,21H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+