methyl (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-[4-(o-tolyl)piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(2-methylphenyl)-1-piperazinyl]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[4-(o-tolyl)piperazino]but-2-enoic acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-13-5-3-4-6-14(13)17-9-11-18(12-10-17)15(19)7-8-16(20)21-2/h3-8H,9-12H2,1-2H3/b8-7+