[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2-furoylamino)-3-phenyl-propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C22H22N4O5/c23-10-5-12-26(13-6-11-24)20(27)16-31-22(29)18(15-17-7-2-1-3-8-17)25-21(28)19-9-4-14-30-19/h1-4,7-9,14,18H,5-6,12-13,15-16H2,(H,25,28)