[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-27-19-8-7-17(13-18(19)22)21(26)28-15-20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3