[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C20H19N3O5/c21-11-4-12-23(16-5-2-1-3-6-16)19(25)14-28-20(26)15-7-9-17(10-8-15)27-13-18(22)24/h1-3,5-10H,4,12-14H2,(H2,22,24)