methyl 2-methoxy-5-[[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]methyl]benzoate Openeye Name: methyl 5-[[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C(=O)OC

InChI

InChI=1S/C21H27NO5/c1-26-17-4-3-13(6-16(17)18(23)27-2)11-22-19(24)20-7-14-5-15(8-20)10-21(25,9-14)12-20/h3-4,6,14-15,25H,5,7-12H2,1-2H3,(H,22,24)/t14-,15+,20?,21?