hexan-1-amine; 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid

Systemtic Name: hexan-1-amine; 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: hexan-1-amine; 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid CAS Name: 1-hexanamine; 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid IUPAC Name: hexan-1-amine; 2-(2-hydroxy-4-methylbenzoyl)benzoic acid Traditional Name: hexylamine; 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCCCN.CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C15H12O4.C6H15N/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19;1-2-3-4-5-6-7/h2-8,16H,1H3,(H,18,19);2-7H2,1H3