[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2

InChI

InChI=1S/C20H21N3O5/c1-14-6-3-8-17(19(14)22-15(2)24)20(26)28-13-18(25)23(10-5-9-21)12-16-7-4-11-27-16/h3-4,6-8,11H,5,10,12-13H2,1-2H3,(H,22,24)