(2S,3aR)-1-(phenylcarbonyl)-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid

Systemtic Name: (2S,3aR)-1-(phenylcarbonyl)-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid Openeye Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid CAS Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid IUPAC Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid Traditional Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(N(C2C=C1)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@@H]2C[C@H](N(C2C=C1)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H17NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-3,5-7,9,12-14H,4,8,10H2,(H,19,20)/t12-,13?,14+/m1/s1