[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H21N3O5/c1-16-7-9-17(10-8-16)24(13-4-12-23)20(26)15-29-21(27)11-14-25-18-5-2-3-6-19(18)30-22(25)28/h2-3,5-10H,4,11,13-15H2,1H3