[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2)C

InChI

InChI=1S/C20H22N2O4/c1-14-10-15(2)19(16(3)11-14)20(24)26-13-18(23)22(8-5-7-21)12-17-6-4-9-25-17/h4,6,9-11H,5,8,12-13H2,1-3H3