[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-keto-4-methyl-chromen-7-yl)oxyacetic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H20N2O6/c1-12-7-18(24)28-16-8-14(5-6-15(12)16)26-10-19(25)27-9-17(23)22-20(2,11-21)13-3-4-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,22,23)/t20-/m1/s1