[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3/c1-19-8-10-21(11-9-19)12-13-23(27)29-20(2)24(28)26-16-14-25(15-17-26)18-22-6-4-3-5-7-22/h3-13,20H,14-18H2,1-2H3/b13-12+