3-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]carbonyl-(oxolan-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]carbonyl-(oxolan-2-ylmethyl)amino]propanoic acid Openeye Name: 3-[[5-(p-tolyl)isoxazole-3-carbonyl]-(tetrahydrofuran-2-ylmethyl)amino]propanoic acid CAS Name: 3-[[[5-(4-methylphenyl)-3-isoxazolyl]-oxomethyl]-(2-oxolanylmethyl)amino]propanoic acid IUPAC Name: 3-[[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-(oxolan-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[[5-(p-tolyl)isoxazole-3-carbonyl]-(tetrahydrofurfuryl)amino]propionic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N(CCC(=O)O)CC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N(CCC(=O)O)CC3CCCO3

InChI

InChI=1S/C19H22N2O5/c1-13-4-6-14(7-5-13)17-11-16(20-26-17)19(24)21(9-8-18(22)23)12-15-3-2-10-25-15/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,23)