1-phenylmethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid

Systemtic Name: 1-phenylmethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid CAS Name: 1-phenylmethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid IUPAC Name: 1-phenylmethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid Traditional Name: 1-carbobenzoxy-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(CN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(CN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H21NO4/c19-16(20)14-10-18(15-9-5-4-8-13(14)15)17(21)22-11-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,19,20)