(E)-4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(m-tolyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(3-methylphenyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(m-tolyl)piperazino]but-2-enoic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O3/c1-12-3-2-4-13(11-12)16-7-9-17(10-8-16)14(18)5-6-15(19)20/h2-6,11H,7-10H2,1H3,(H,19,20)/b6-5+