3-azanyl-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-azanyl-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid Traditional Name: 3-amino-3-keto-2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]propionic acid Formula: C22H22N2O5 MolecularWeight: 400.376409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)N)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCO[13C]3=[13CH][13CH]=[13C]([13CH]=[13CH]3)CC(C(=O)N)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-14-19(24-21(29-14)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18(20(23)25)22(26)27/h2-10,18H,11-13H2,1H3,(H2,23,25)(H,26,27)/i7+1,8+1,9+1,10+1,15+1,17+1