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

Systemtic Name: (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(o-tolyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(2-methylphenyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(o-tolyl)piperazino]but-2-enoic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O3/c1-12-4-2-3-5-13(12)16-8-10-17(11-9-16)14(18)6-7-15(19)20/h2-7H,8-11H2,1H3,(H,19,20)/b7-6+