ethanoic acid; 6-methyl-2-oxidanyl-N-(2-oxidanyl-2-phenyl-ethyl)-3-propan-2-yl-benzamide

Systemtic Name: ethanoic acid; 6-methyl-2-oxidanyl-N-(2-oxidanyl-2-phenyl-ethyl)-3-propan-2-yl-benzamide Openeye Name: acetic acid; 2-hydroxy-N-(2-hydroxy-2-phenyl-ethyl)-3-isopropyl-6-methyl-benzamide CAS Name: acetic acid; 2-hydroxy-N-(2-hydroxy-2-phenylethyl)-6-methyl-3-propan-2-ylbenzamide IUPAC Name: acetic acid; 2-hydroxy-N-(2-hydroxy-2-phenylethyl)-6-methyl-3-propan-2-ylbenzamide Traditional Name: acetic acid; 2-hydroxy-N-(2-hydroxy-2-phenyl-ethyl)-3-isopropyl-6-methyl-benzamide Formula: C23H31NO7 MolecularWeight: 433.49474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCC(C2=CC=CC=C2)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCC(C2=CC=CC=C2)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C19H23NO3.2C2H4O2/c1-12(2)15-10-9-13(3)17(18(15)22)19(23)20-11-16(21)14-7-5-4-6-8-14;2*1-2(3)4/h4-10,12,16,21-22H,11H2,1-3H3,(H,20,23);2*1H3,(H,3,4)