[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4CCCCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H29N3O6/c1-17(31)28-20-10-12-21(13-11-20)30-25(33)22-14-9-18(15-23(22)26(30)34)27(35)36-16-24(32)29-19-7-5-3-2-4-6-8-19/h9-15,19H,2-8,16H2,1H3,(H,28,31)(H,29,32)