methyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate CAS Name: 3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate Traditional Name: 3-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoic acid methyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O5/c1-29-21(27)19-4-2-3-15(10-19)14-30-20(26)5-6-24-22(28)25-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-4,10,16-18H,5-9,11-14H2,1H3,(H2,24,25,28)