methyl 3-[[1-methoxy-3-[4-(1-oxidanidylpyridin-1-ium-2-yl)phenyl]-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[1-methoxy-3-[4-(1-oxidanidylpyridin-1-ium-2-yl)phenyl]-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-methoxy-1-[[4-(1-oxidopyridin-1-ium-2-yl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[1-methoxy-3-[4-(1-oxido-2-pyridin-1-iumyl)phenyl]-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-methoxy-3-[4-(1-oxidopyridin-1-ium-2-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[2-keto-2-methoxy-1-[4-(1-oxidopyridin-1-ium-2-yl)benzyl]ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=[N+]2[O-])NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=[N+]2[O-])NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C28H32N2O6/c1-35-24(31)22(12-18-6-8-21(9-7-18)23-5-3-4-10-30(23)34)29-25(32)27-13-19-11-20(14-27)16-28(15-19,17-27)26(33)36-2/h3-10,19-20,22H,11-17H2,1-2H3,(H,29,32)