ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexyl]carbonyloxymethyl]benzoate

Systemtic Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexyl]carbonyloxymethyl]benzoate Openeye Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxymethyl]benzoate CAS Name: 4-[[[(1S,3S)-3-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-oxomethoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxymethyl]benzoate Traditional Name: 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxymethyl]benzoic acid ethyl ester Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2CCCC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)[C@H]2CCC[C@@H](C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N2O5/c1-2-34-25(31)22-8-6-18(7-9-22)17-35-26(32)23-4-3-5-24(13-23)29-27(33)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h6-9,19-21,23-24H,2-5,10-17H2,1H3,(H2,29,30,33)/t19?,20?,21?,23-,24-,28?/m0/s1