(Z)-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (Z)-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (Z)-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-3-methyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazino]but-2-enoic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)C(=CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)/C(=C\C(=O)O)/C

InChI

InChI=1S/C18H24N2O4/c1-14-3-5-16(6-4-14)24-12-11-19-7-9-20(10-8-19)18(23)15(2)13-17(21)22/h3-6,13H,7-12H2,1-2H3,(H,21,22)/b15-13-