[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic 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] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)O[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-16-19-10-6-7-11-20(19)29-21(16)23(27)28-17(2)22(26)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h3-11,17H,12-15H2,1-2H3/t17-/m1/s1