[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H24N2O4/c1-15-8-9-18(19(24)14-15)21(26)27-16(2)20(25)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14,16,24H,10-13H2,1-2H3/t16-/m1/s1