methyl 4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]oxymethyl]benzoic acid methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO5/c1-14(20(25)29-13-15-3-5-19(6-4-15)21(26)28-2)24-22(27)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,14,16-18H,7-13H2,1-2H3,(H,24,27)/t14-,16?,17?,18?,23?/m0/s1