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

Systemtic Name: methyl 4-[3-(1-adamantylcarbonylamino)propanoyloxy]benzoate Openeye Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoyloxy]benzoate CAS Name: 4-[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoyloxy]benzoate Traditional Name: 4-[3-(adamantane-1-carbonylamino)propanoyloxy]benzoic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-27-20(25)17-2-4-18(5-3-17)28-19(24)6-7-23-21(26)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16H,6-13H2,1H3,(H,23,26)