methyl 3-(2-bromophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-propanoate

Systemtic Name: methyl 3-(2-bromophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-propanoate Openeye Name: methyl 3-(2-bromophenyl)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanoate CAS Name: 3-(2-bromophenyl)-3-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-bromophenyl)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanoate Traditional Name: 3-(2-bromophenyl)-3-hydroxy-2-[(4-methylpiperazino)methyl]propionic acid methyl ester Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C(C2=CC=CC=C2Br)O)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(C(C2=CC=CC=C2Br)O)C(=O)OC

InChI

InChI=1S/C16H23BrN2O3/c1-18-7-9-19(10-8-18)11-13(16(21)22-2)15(20)12-5-3-4-6-14(12)17/h3-6,13,15,20H,7-11H2,1-2H3