(E)-but-2-enedioic acid; 1-(3-methylphenyl)-2-piperidin-1-yl-propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-methylphenyl)-2-piperidin-1-yl-propan-1-one Openeye Name: fumaric acid; 1-(m-tolyl)-2-(1-piperidyl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(3-methylphenyl)-2-(1-piperidinyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one Traditional Name: fumaric acid; 1-(m-tolyl)-2-piperidino-propan-1-one Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(C)N2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C(C)N2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NO.C4H4O4/c1-12-7-6-8-14(11-12)15(17)13(2)16-9-4-3-5-10-16;5-3(6)1-2-4(7)8/h6-8,11,13H,3-5,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+