2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 3-methylbutan-1-amine

Systemtic Name: 2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 3-methylbutan-1-amine Openeye Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; 3-methylbutan-1-amine CAS Name: 2-[(4-ethyl-2-hydroxyphenyl)-oxomethyl]benzoic acid; 3-methyl-1-butanamine IUPAC Name: 2-(4-ethyl-2-hydroxybenzoyl)benzoic acid; 3-methylbutan-1-amine Traditional Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; isoamylamine Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)CCN

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)CCN

InChI

InChI=1S/C16H14O4.C5H13N/c1-2-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20;1-5(2)3-4-6/h3-9,17H,2H2,1H3,(H,19,20);5H,3-4,6H2,1-2H3