2-oxidanyl-2-phenyl-ethanoic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate Openeye Name: benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate; 2-hydroxy-2-phenyl-acetic acid CAS Name: carbonic acid (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl ester; 2-hydroxy-2-phenylacetic acid IUPAC Name: benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate; 2-hydroxy-2-phenylacetic acid Traditional Name: carbonic acid benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl ester; madelic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)OC(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1C(NCC2=CC=CC=C21)OC(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C17H17NO3.C8H8O3/c19-17(20-12-13-6-2-1-3-7-13)21-16-10-14-8-4-5-9-15(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)