methyl (1S,2S,4R,5S)-5-oxidanyl-2-[(phenylmethyl)carbamoyl]-4-prop-2-enoxy-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,4R,5S)-5-oxidanyl-2-[(phenylmethyl)carbamoyl]-4-prop-2-enoxy-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,4R,5S)-4-allyloxy-2-(benzylcarbamoyl)-5-hydroxy-cyclohexanecarboxylate CAS Name: (1S,2S,4R,5S)-5-hydroxy-2-[oxo-[(phenylmethyl)amino]methyl]-4-prop-2-enoxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4R,5S)-2-(benzylcarbamoyl)-5-hydroxy-4-prop-2-enoxycyclohexane-1-carboxylate Traditional Name: (1S,2S,4R,5S)-4-allyloxy-2-(benzylcarbamoyl)-5-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(CC1C(=O)NCC2=CC=CC=C2)OCC=C)O

Isomeric SMILES

COC(=O)[C@H]1C[C@@H]([C@@H](C[C@@H]1C(=O)NCC2=CC=CC=C2)OCC=C)O

InChI

InChI=1S/C19H25NO5/c1-3-9-25-17-11-14(15(10-16(17)21)19(23)24-2)18(22)20-12-13-7-5-4-6-8-13/h3-8,14-17,21H,1,9-12H2,2H3,(H,20,22)/t14-,15-,16-,17+/m0/s1