[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C22H20N2O4/c1-13-16-10-7-14-5-3-4-6-17(14)20(16)28-19(13)21(26)27-11-18(25)24-22(2,12-23)15-8-9-15/h3-7,10,15H,8-9,11H2,1-2H3,(H,24,25)/t22-/m1/s1