4-oxidanyl-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid

Systemtic Name: 4-oxidanyl-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid Openeye Name: 4-hydroxy-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid CAS Name: 4-hydroxy-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid IUPAC Name: 4-hydroxy-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid Traditional Name: 4-hydroxy-4-(2-phenylethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CCN2C(=O)O)C(C1)(C#CC3=CC=CC=C3)O

Isomeric SMILES

C1CC2C(CCN2C(=O)O)C(C1)(C#CC3=CC=CC=C3)O

InChI

InChI=1S/C17H19NO3/c19-16(20)18-12-9-14-15(18)7-4-10-17(14,21)11-8-13-5-2-1-3-6-13/h1-3,5-6,14-15,21H,4,7,9-10,12H2,(H,19,20)