2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(dimethylamino)-1-phenyl-ethanol

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(dimethylamino)-1-phenyl-ethanol Openeye Name: 2,3-dibenzoyloxybutanedioic acid; 2-(dimethylamino)-1-phenyl-ethanol CAS Name: 2,3-dibenzoyloxybutanedioic acid; 2-(dimethylamino)-1-phenylethanol IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; 2-(dimethylamino)-1-phenylethanol Traditional Name: 2,3-dibenzoyloxysuccinic acid; 2-(dimethylamino)-1-phenyl-ethanol Formula: C28H29NO9 MolecularWeight: 523.53116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.C10H15NO/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-11(2)8-10(12)9-6-4-3-5-7-9/h1-10,13-14H,(H,19,20)(H,21,22);3-7,10,12H,8H2,1-2H3