[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C22H22N2O4/c1-14(2)22(3,13-23)24-19(25)12-27-21(26)20-15-8-4-6-10-17(15)28-18-11-7-5-9-16(18)20/h4-11,14,20H,12H2,1-3H3,(H,24,25)/t22-/m0/s1