6-oxidanylidene-2-(phenylmethyl)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate

Systemtic Name: 6-oxidanylidene-2-(phenylmethyl)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate Openeye Name: 2-benzyl-6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate CAS Name: 6-oxo-2-(phenylmethyl)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate IUPAC Name: 2-benzyl-6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate Traditional Name: 2-benzyl-6-keto-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC2C1CN(C(C2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)CC2C1CN(C(C2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H21NO3/c19-15-7-6-13-11-18(10-12-4-2-1-3-5-12)16(17(20)21)9-14(13)8-15/h1-5,13-14,16H,6-11H2,(H,20,21)/p-1