[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C24H24N2O4/c1-16(22(27)26-24(15-25)13-7-2-8-14-24)29-23(28)21-17-9-3-5-11-19(17)30-20-12-6-4-10-18(20)21/h3-6,9-12,16,21H,2,7-8,13-14H2,1H3,(H,26,27)