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

Systemtic Name: methyl 3-[[(2S)-3-(4-iodophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-1-[(4-iodophenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-3-(4-iodophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-3-(4-iodophenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-1-(4-iodobenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C23H28INO5 MolecularWeight: 525.37659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)I)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)I)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C23H28INO5/c1-29-19(26)18(8-14-3-5-17(24)6-4-14)25-20(27)22-9-15-7-16(10-22)12-23(11-15,13-22)21(28)30-2/h3-6,15-16,18H,7-13H2,1-2H3,(H,25,27)/t15?,16?,18-,22?,23?/m0/s1