methyl 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethoxy]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O5/c1-28-20(27)16-11-24(17-8-4-3-7-15(16)17)12-19(26)29-13-18(25)23-21(14-22)9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,23,25)