4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid

Systemtic Name: 4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid Openeye Name: 4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid CAS Name: 4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid IUPAC Name: 4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid Traditional Name: 4-(2-phenylethynyl)-2,3,5,6,7,7a-hexahydroindole-1-carboxylic acid Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2/c19-17(20)18-12-11-15-14(7-4-8-16(15)18)10-9-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-8,11-12H2,(H,19,20)