[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic 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)OCC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

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