[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H25N3O4/c22-11-5-12-23-19(25)14-28-21(27)17-8-3-2-7-16(17)20(26)24-13-10-15-6-1-4-9-18(15)24/h1,4,6,9,16-17H,2-3,5,7-8,10,12-14H2,(H,23,25)