2-oxidanyl-2-phenyl-ethanoate; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoate; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate; 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetate; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate; 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetate; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester Formula: C25H24NO5- MolecularWeight: 418.46176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)[O-])O

InChI

InChI=1S/C17H17NO2.C8H8O3/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;9-7(8(10)11)6-4-2-1-3-5-6/h1-9,16,18H,10-12H2;1-5,7,9H,(H,10,11)/p-1