methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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