[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27N3O3/c1-20(21-7-3-2-4-8-21)28-15-17-29(18-16-28)25(30)19-32-26(31)14-13-23-12-11-22-9-5-6-10-24(22)27-23/h2-14,20H,15-19H2,1H3/b14-13+