methyl 4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[(4-p-toluoylpiperazino)methyl]benzoic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-16-3-7-18(8-4-16)20(24)23-13-11-22(12-14-23)15-17-5-9-19(10-6-17)21(25)26-2/h3-10H,11-15H2,1-2H3