methyl 4-[3-(1-adamantylcarbonylamino)propanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-(1-adamantylcarbonylamino)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]benzoate CAS Name: 4-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]benzoate Traditional Name: 4-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]benzoic acid methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO5/c1-28-21(26)19-4-2-15(3-5-19)14-29-20(25)6-7-24-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h2-5,16-18H,6-14H2,1H3,(H,24,27)