methyl (1S,2S)-2-(oxidanylcarbamoyl)-1-[4-oxidanyl-3-(1-phenylethyl)phenyl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-(oxidanylcarbamoyl)-1-[4-oxidanyl-3-(1-phenylethyl)phenyl]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S)-2-(hydroxycarbamoyl)-1-[4-hydroxy-3-(1-phenylethyl)phenyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(hydroxyamino)-oxomethyl]-1-[4-hydroxy-3-(1-phenylethyl)phenyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-(hydroxycarbamoyl)-1-[4-hydroxy-3-(1-phenylethyl)phenyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(hydroxycarbamoyl)-1-[4-hydroxy-3-(1-phenylethyl)phenyl]cyclopropanecarboxylic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)C3(CC3C(=O)NO)C(=O)OC)O

Isomeric SMILES

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)[C@@]3(C[C@@H]3C(=O)NO)C(=O)OC)O

InChI

InChI=1S/C20H21NO5/c1-12(13-6-4-3-5-7-13)15-10-14(8-9-17(15)22)20(19(24)26-2)11-16(20)18(23)21-25/h3-10,12,16,22,25H,11H2,1-2H3,(H,21,23)/t12?,16-,20-/m1/s1