methyl 3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-pyridin-4-yl-carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-pyridin-4-yl-carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]-(4-pyridyl)carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-1-methoxy-1-oxopropan-2-yl]-pyridin-4-ylamino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-1-methoxy-1-oxopropan-2-yl]-pyridin-4-ylcarbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]-(4-pyridyl)carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-14(18(25)28-2)24(17-4-6-23-7-5-17)19(26)21-9-15-8-16(10-21)12-22(11-15,13-21)20(27)29-3/h4-7,14-16H,8-13H2,1-3H3/t14-,15?,16?,21?,22?/m0/s1