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

Systemtic Name: methyl 3-[[(2S)-1-methoxy-1-oxidanylidene-3-(4-prop-2-enylphenyl)propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-1-[(4-allylphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-1-methoxy-1-oxo-3-(4-prop-2-enylphenyl)propan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-1-methoxy-1-oxo-3-(4-prop-2-enylphenyl)propan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-1-(4-allylbenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5/c1-4-5-17-6-8-18(9-7-17)11-21(22(28)31-2)27-23(29)25-12-19-10-20(13-25)15-26(14-19,16-25)24(30)32-3/h4,6-9,19-21H,1,5,10-16H2,2-3H3,(H,27,29)/t19?,20?,21-,25?,26?/m0/s1