[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-3-19-9-10-22-20(17-30-23(22)15-19)16-24(28)31-18(2)25(29)27-13-11-26(12-14-27)21-7-5-4-6-8-21/h4-10,15,17-18H,3,11-14,16H2,1-2H3/t18-/m1/s1