2-butylbenzoic acid; N-(2-methylpropyl)-N-oxidanyl-benzamide

Systemtic Name: 2-butylbenzoic acid; N-(2-methylpropyl)-N-oxidanyl-benzamide Openeye Name: 2-butylbenzoic acid; N-hydroxy-N-isobutyl-benzamide CAS Name: 2-butylbenzoic acid; N-hydroxy-N-(2-methylpropyl)benzamide IUPAC Name: 2-butylbenzoic acid; N-hydroxy-N-(2-methylpropyl)benzamide Traditional Name: 2-butylbenzoic acid; N-hydroxy-N-isobutyl-benzamide Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)O.CC(C)CN(C(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)O.CC(C)CN(C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C11H15NO2.C11H14O2/c1-9(2)8-12(14)11(13)10-6-4-3-5-7-10;1-2-3-6-9-7-4-5-8-10(9)11(12)13/h3-7,9,14H,8H2,1-2H3;4-5,7-8H,2-3,6H2,1H3,(H,12,13)