[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H22N2O5/c1-14(2)22(27)23-16-9-7-15(8-10-16)18(25)13-28-21(26)12-11-20-24-17-5-3-4-6-19(17)29-20/h3-10,14H,11-13H2,1-2H3,(H,23,27)