[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)OCCOC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)OCCOC2=CC=CC=C2

InChI

InChI=1S/C25H27N3O6/c1-2-31-23-18-20(10-11-22(23)33-17-16-32-21-8-4-3-5-9-21)25(30)34-19-24(29)28(14-6-12-26)15-7-13-27/h3-5,8-11,18H,2,6-7,14-17,19H2,1H3