methyl 2-(4-azanylcyclohexyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate hydrochloride

Systemtic Name: methyl 2-(4-azanylcyclohexyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminocyclohexyl)-1,3-dioxo-isoindoline-5-carboxylate hydrochloride CAS Name: 2-(4-aminocyclohexyl)-1,3-dioxo-5-isoindolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminocyclohexyl)-1,3-dioxoisoindole-5-carboxylate hydrochloride Traditional Name: 2-(4-aminocyclohexyl)-1,3-diketo-isoindoline-5-carboxylic acid methyl ester hydrochloride Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(CC3)N.Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(CC3)N.Cl

InChI

InChI=1S/C16H18N2O4.ClH/c1-22-16(21)9-2-7-12-13(8-9)15(20)18(14(12)19)11-5-3-10(17)4-6-11;/h2,7-8,10-11H,3-6,17H2,1H3;1H