ethyl 4-[[(1R,3S)-3-(1-adamantylcarbamoylamino)cyclohexyl]carbonyloxy-cyano-methyl]benzoate

Systemtic Name: ethyl 4-[[(1R,3S)-3-(1-adamantylcarbamoylamino)cyclohexyl]carbonyloxy-cyano-methyl]benzoate Openeye Name: ethyl 4-[[(1R,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-cyano-methyl]benzoate CAS Name: 4-[[[(1R,3S)-3-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-oxomethoxy]-cyanomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1R,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-cyanomethyl]benzoate Traditional Name: 4-[[(1R,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-cyano-methyl]benzoic acid ethyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C#N)OC(=O)C2CCCC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O5/c1-2-36-26(33)22-8-6-21(7-9-22)25(17-30)37-27(34)23-4-3-5-24(13-23)31-28(35)32-29-14-18-10-19(15-29)12-20(11-18)16-29/h6-9,18-20,23-25H,2-5,10-16H2,1H3,(H2,31,32,35)/t18?,19?,20?,23-,24+,25?,29?/m1/s1