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

Systemtic Name: (phenylmethyl) 1-methanoyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-formyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate CAS Name: 1-formyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-formyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-formyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCN(C2C=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2C(C1)CCN(C2C=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23NO3/c20-12-17-16-9-5-4-8-15(16)10-11-19(17)18(21)22-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-17H,4-5,8-11,13H2