[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H23N3O6/c1-29-18-11-16(12-19(13-18)30-2)22(28)24-14-21(27)31-15-20(26)25(10-6-9-23)17-7-4-3-5-8-17/h3-5,7-8,11-13H,6,10,14-15H2,1-2H3,(H,24,28)