[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N3O4/c22-11-1-13-24(14-2-12-23)20(26)15-28-21(27)18-5-3-16(4-6-18)17-7-9-19(25)10-8-17/h3-10,25H,1-2,13-15H2