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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic 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] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C23H22N2O3/c1-15(2)23(3,14-24)25-20(26)13-28-22(27)21-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)21/h4-12,15H,13H2,1-3H3,(H,25,26)/t23-/m0/s1