methyl 1-[[1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindol-5-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindol-5-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1,3-diketo-2-(4-pyridylmethyl)isoindoline-5-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4

InChI

InChI=1S/C23H23N3O5/c1-31-22(30)23(9-3-2-4-10-23)25-19(27)16-5-6-17-18(13-16)21(29)26(20(17)28)14-15-7-11-24-12-8-15/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,27)