[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4(CCCCC4)C#N

InChI

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