1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: 1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate IUPAC Name: 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Formula: C17H16NO2- MolecularWeight: 266.31444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H17NO2/c19-17(20)16-11-13-8-4-5-9-14(13)15(18-16)10-12-6-2-1-3-7-12/h1-9,15-16,18H,10-11H2,(H,19,20)/p-1