4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]butanoic acid

Systemtic Name: 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]butanoic acid Openeye Name: 4-[[3-(p-tolyl)isoxazol-5-yl]methylamino]butanoic acid CAS Name: 4-[[3-(4-methylphenyl)-5-isoxazolyl]methylamino]butanoic acid IUPAC Name: 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]butanoic acid Traditional Name: 4-[[3-(p-tolyl)isoxazol-5-yl]methylamino]butyric acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)CNCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)CNCCCC(=O)O

InChI

InChI=1S/C15H18N2O3/c1-11-4-6-12(7-5-11)14-9-13(20-17-14)10-16-8-2-3-15(18)19/h4-7,9,16H,2-3,8,10H2,1H3,(H,18,19)