4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]methyl]benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-10-14(11(2)22-18-10)7-8-15(19)17-9-12-3-5-13(6-4-12)16(20)21/h3-6H,7-9H2,1-2H3,(H,17,19)(H,20,21)