(E)-but-2-enedioic acid; 3-methyl-3,4-diphenyl-butanamide

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-3,4-diphenyl-butanamide Openeye Name: fumaric acid; 3-methyl-3,4-diphenyl-butanamide CAS Name: (E)-2-butenedioic acid; 3-methyl-3,4-diphenylbutanamide IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-3,4-diphenylbutanamide Traditional Name: fumaric acid; 3-methyl-3,4-diphenyl-butyramide Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO.C4H4O4/c1-17(13-16(18)19,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2-11H,12-13H2,1H3,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+