[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C26H26N2O5/c1-28(26(18-27)14-8-3-9-15-26)23(29)17-32-25(30)24-21(16-31-19-10-4-2-5-11-19)20-12-6-7-13-22(20)33-24/h2,4-7,10-13H,3,8-9,14-17H2,1H3