(phenylmethyl) 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate CAS Name: 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-carboxyoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(C(CC2C1)OC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2CN(C(CC2C1)OC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23NO5/c20-17(23-12-13-6-2-1-3-7-13)19-11-15-9-5-4-8-14(15)10-16(19)24-18(21)22/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,22)