[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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