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

Systemtic Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexyl]carbonyloxy-phenyl-methyl]benzoate Openeye Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-phenyl-methyl]benzoate CAS Name: 4-[[[(1S,3S)-3-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-oxomethoxy]-phenylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-phenylmethyl]benzoate Traditional Name: 4-[[(1S,3S)-3-(1-adamantylcarbamoylamino)cyclohexanecarbonyl]oxy-phenyl-methyl]benzoic acid ethyl ester Formula: C34H42N2O5 MolecularWeight: 558.70768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3CCCC(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@H]3CCC[C@@H](C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H42N2O5/c1-2-40-31(37)27-13-11-26(12-14-27)30(25-7-4-3-5-8-25)41-32(38)28-9-6-10-29(18-28)35-33(39)36-34-19-22-15-23(20-34)17-24(16-22)21-34/h3-5,7-8,11-14,22-24,28-30H,2,6,9-10,15-21H2,1H3,(H2,35,36,39)/t22?,23?,24?,28-,29-,30?,34?/m0/s1