ethyl (2R,3S)-1-butyl-2,6-dimethyl-5-oxidanyl-2,3-dihydroindole-3-carboxylate

Systemtic Name: ethyl (2R,3S)-1-butyl-2,6-dimethyl-5-oxidanyl-2,3-dihydroindole-3-carboxylate Openeye Name: ethyl (2R,3S)-1-butyl-5-hydroxy-2,6-dimethyl-indoline-3-carboxylate CAS Name: (2R,3S)-1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydroindole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydroindole-3-carboxylate Traditional Name: (2R,3S)-1-butyl-5-hydroxy-2,6-dimethyl-indoline-3-carboxylic acid ethyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC(=C(C=C21)C)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1[C@@H]([C@H](C2=CC(=C(C=C21)C)O)C(=O)OCC)C

InChI

InChI=1S/C17H25NO3/c1-5-7-8-18-12(4)16(17(20)21-6-2)13-10-15(19)11(3)9-14(13)18/h9-10,12,16,19H,5-8H2,1-4H3/t12-,16-/m1/s1