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

Systemtic Name: methyl 4-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate CAS Name: 4-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]benzoate Traditional Name: 4-[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=C(C=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

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