[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenylphenoxy)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenylphenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-phenylphenoxy)acetate CAS Name: 2-(2-phenylphenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate Traditional Name: 2-(2-phenylphenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H21N3O4/c23-12-6-14-25(15-7-13-24)21(26)16-29-22(27)17-28-20-11-5-4-10-19(20)18-8-2-1-3-9-18/h1-5,8-11H,6-7,14-17H2