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

Systemtic Name: 2-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate IUPAC Name: 2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate Formula: C17H22NO2- MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(C(CC2C1)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CCC2CN(C(CC2C1)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H23NO2/c19-17(20)16-10-14-8-4-5-9-15(14)12-18(16)11-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,19,20)/p-1