3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]carbonylbenzoate Openeye Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[oxo-[4-(2,4,5-trimethylphenyl)-1-piperazinyl]methyl]benzoate IUPAC Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoate Formula: C21H23N2O3- MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C21H24N2O3/c1-14-11-16(3)19(12-15(14)2)22-7-9-23(10-8-22)20(24)17-5-4-6-18(13-17)21(25)26/h4-6,11-13H,7-10H2,1-3H3,(H,25,26)/p-1