[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-14(21(25)23-17-9-5-4-7-16(17)13-22)28-19(24)12-11-15-8-6-10-18(26-2)20(15)27-3/h4-10,14H,11-12H2,1-3H3,(H,23,25)