methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate Openeye Name: methyl 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate CAS Name: 2-[[5-(4-bromophenyl)-3-isoxazolyl]methyl]-3-(4-methyl-1-piperazinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate Traditional Name: 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(4-methylpiperazino)propionic acid methyl ester Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CC2=NOC(=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(CC2=NOC(=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H24BrN3O3/c1-22-7-9-23(10-8-22)13-15(19(24)25-2)11-17-12-18(26-21-17)14-3-5-16(20)6-4-14/h3-6,12,15H,7-11,13H2,1-2H3