methyl 4-[[4-(3-bromophenyl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-bromophenyl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-bromobenzoyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-bromobenzoyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-bromobenzoyl)piperazino]methyl]benzoic acid methyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O3/c1-26-20(25)16-7-5-15(6-8-16)14-22-9-11-23(12-10-22)19(24)17-3-2-4-18(21)13-17/h2-8,13H,9-12,14H2,1H3