methyl (1S,2S)-1-(1H-indol-2-yl)-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-1-(1H-indol-2-yl)-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-hydroxy-1-(1H-indol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-hydroxy-1-(1H-indol-2-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-hydroxy-1-(1H-indol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-hydroxy-1-(1H-indol-2-yl)cyclohexanecarboxylic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@@]1(CCCC[C@@H]1O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C16H19NO3/c1-20-15(19)16(9-5-4-8-14(16)18)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,14,17-18H,4-5,8-9H2,1H3/t14-,16-/m0/s1