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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)C4(CCCCC4)C#N

InChI

InChI=1S/C25H24N2O3/c1-27(25(17-26)13-7-2-8-14-25)22(28)16-30-24(29)23-20-11-5-3-9-18(20)15-19-10-4-6-12-21(19)23/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3