(E)-4-[4-(4-methylphenyl)carbonylpiperidin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(4-methylphenyl)carbonylpiperidin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-methylbenzoyl)-1-piperidyl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(4-methylphenyl)-oxomethyl]-1-piperidinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(4-p-toluoylpiperidino)but-2-enoic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H19NO4/c1-12-2-4-13(5-3-12)17(22)14-8-10-18(11-9-14)15(19)6-7-16(20)21/h2-7,14H,8-11H2,1H3,(H,20,21)/b7-6+