[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O3/c1-17-13-18(2)15-21(14-17)23(27)28-19(3)22(26)25-11-9-24(10-12-25)16-20-7-5-4-6-8-20/h4-8,13-15,19H,9-12,16H2,1-3H3