[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H28N2O3/c1-16-8-9-18(3)20(14-16)23(27)28-15-22(26)25-12-10-24(11-13-25)21-7-5-6-17(2)19(21)4/h5-9,14H,10-13,15H2,1-4H3