4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylbenzoate Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoate Formula: C20H21N2O3- MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-14-3-4-15(2)18(13-14)21-9-11-22(12-10-21)19(23)16-5-7-17(8-6-16)20(24)25/h3-8,13H,9-12H2,1-2H3,(H,24,25)/p-1