1-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid

Systemtic Name: 1-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid CAS Name: 1-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 1-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 1-carbobenzoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-1-carboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCNC2(C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2C(C1)CCNC2(C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23NO4/c20-16(21)18(15-9-5-4-8-14(15)10-11-19-18)17(22)23-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,20,21)