[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-13(25)22-14-7-8-17(28-2)16(11-14)23-19(26)12-29-21(27)10-9-20-24-15-5-3-4-6-18(15)30-20/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)(H,23,26)