[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H29N3O6/c31-24(28-19-7-9-20(10-8-19)29-12-14-35-15-13-29)17-36-27(34)18-6-11-22-23(16-18)26(33)30(25(22)32)21-4-2-1-3-5-21/h6-11,16,21H,1-5,12-15,17H2,(H,28,31)