ethanoic acid; 6-methyl-2-oxidanyl-N-phenethyl-3-propan-2-yl-benzamide

Systemtic Name: ethanoic acid; 6-methyl-2-oxidanyl-N-phenethyl-3-propan-2-yl-benzamide Openeye Name: acetic acid; 2-hydroxy-3-isopropyl-6-methyl-N-phenethyl-benzamide CAS Name: acetic acid; 2-hydroxy-6-methyl-N-phenethyl-3-propan-2-ylbenzamide IUPAC Name: acetic acid; 2-hydroxy-6-methyl-N-phenethyl-3-propan-2-ylbenzamide Traditional Name: acetic acid; 2-hydroxy-3-isopropyl-6-methyl-N-phenethyl-benzamide Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCCC2=CC=CC=C2.CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCCC2=CC=CC=C2.CC(=O)O

InChI

InChI=1S/C19H23NO2.C2H4O2/c1-13(2)16-10-9-14(3)17(18(16)21)19(22)20-12-11-15-7-5-4-6-8-15;1-2(3)4/h4-10,13,21H,11-12H2,1-3H3,(H,20,22);1H3,(H,3,4)