[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C18H21N3O4/c1-14-9-15(2)11-16(10-14)24-13-18(23)25-12-17(22)21(7-3-5-19)8-4-6-20/h9-11H,3-4,7-8,12-13H2,1-2H3