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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N2O4/c31-25(29-28-14-18-11-19(15-28)13-20(12-18)16-28)17-34-27(33)23-7-3-2-6-22(23)26(32)30-10-9-21-5-1-4-8-24(21)30/h1,4-5,8,18-20,22-23H,2-3,6-7,9-17H2,(H,29,31)