2-[2-(dimethylamino)-3-ethyl-phenyl]-2-oxidanyl-2-phenyl-ethanoic acid; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(dimethylamino)-3-ethyl-phenyl]-2-oxidanyl-2-phenyl-ethanoic acid; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 2-[2-(dimethylamino)-3-ethyl-phenyl]-2-hydroxy-2-phenyl-acetic acid; 2-hydroxy-2-phenyl-acetic acid CAS Name: 2-[2-(dimethylamino)-3-ethylphenyl]-2-hydroxy-2-phenylacetic acid; 2-hydroxy-2-phenylacetic acid IUPAC Name: 2-[2-(dimethylamino)-3-ethylphenyl]-2-hydroxy-2-phenylacetic acid; 2-hydroxy-2-phenylacetic acid Traditional Name: 2-[2-(dimethylamino)-3-ethyl-phenyl]-2-hydroxy-2-phenyl-acetic acid; madelic acid Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C2=CC=CC=C2)(C(=O)O)O)N(C)C.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C2=CC=CC=C2)(C(=O)O)O)N(C)C.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C18H21NO3.C8H8O3/c1-4-13-9-8-12-15(16(13)19(2)3)18(22,17(20)21)14-10-6-5-7-11-14;9-7(8(10)11)6-4-2-1-3-5-6/h5-12,22H,4H2,1-3H3,(H,20,21);1-5,7,9H,(H,10,11)