2,3-bis(oxidanyl)butanedioic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate; 2,3-dihydroxybutanedioic acid CAS Name: 2,3-dihydroxybutanedioic acid; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate; 2,3-dihydroxybutanedioic acid Traditional Name: tartaric acid; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2.C4H6O6/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;5-1(3(7)8)2(6)4(9)10/h1-9,16,18H,10-12H2;1-2,5-6H,(H,7,8)(H,9,10)