[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-14(22(26)24-17-7-5-6-16(10-17)13-23)30-20(25)9-8-15-11-18(27-2)21(29-4)19(12-15)28-3/h5-7,10-12,14H,8-9H2,1-4H3,(H,24,26)