methyl (3S,4R,5S)-5-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-oxidanyl-3-prop-2-ynoxy-cyclohexene-1-carboxylate

Systemtic Name: methyl (3S,4R,5S)-5-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-oxidanyl-3-prop-2-ynoxy-cyclohexene-1-carboxylate Openeye Name: methyl (3S,4R,5S)-5-[[benzyloxycarbonyl(methyl)amino]methyl]-4-hydroxy-3-prop-2-ynoxy-cyclohexene-1-carboxylate CAS Name: (3S,4R,5S)-4-hydroxy-5-[[methyl(phenylmethoxycarbonyl)amino]methyl]-3-prop-2-ynoxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R,5S)-4-hydroxy-5-[[methyl(phenylmethoxycarbonyl)amino]methyl]-3-prop-2-ynoxycyclohexene-1-carboxylate Traditional Name: (3S,4R,5S)-5-[[carbobenzoxy(methyl)amino]methyl]-4-hydroxy-3-propargyloxy-cyclohexene-1-carboxylic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC(=CC(C1O)OCC#C)C(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C[C@@H]1CC(=C[C@@H]([C@@H]1O)OCC#C)C(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO6/c1-4-10-27-18-12-16(20(24)26-3)11-17(19(18)23)13-22(2)21(25)28-14-15-8-6-5-7-9-15/h1,5-9,12,17-19,23H,10-11,13-14H2,2-3H3/t17-,18-,19+/m0/s1