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

Systemtic Name: methyl 2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate Openeye Name: methyl 2-[(4-methylpiperazin-1-yl)methyl]-3-[5-(p-tolyl)isoxazol-3-yl]propanoate CAS Name: 2-[[5-(4-methylphenyl)-3-isoxazolyl]methyl]-3-(4-methyl-1-piperazinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanoate Traditional Name: 2-[(4-methylpiperazino)methyl]-3-[5-(p-tolyl)isoxazol-3-yl]propionic acid methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CC(CN3CCN(CC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CC(CN3CCN(CC3)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-15-4-6-16(7-5-15)19-13-18(21-26-19)12-17(20(24)25-3)14-23-10-8-22(2)9-11-23/h4-7,13,17H,8-12,14H2,1-3H3