methyl 3-bromanyl-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethoxy]benzoic acid methyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O5/c1-27-17-6-4-16(5-7-17)23-9-11-24(12-10-23)20(25)14-29-19-8-3-15(13-18(19)22)21(26)28-2/h3-8,13H,9-12,14H2,1-2H3