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

Systemtic Name: 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; pentan-1-amine Openeye Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; pentan-1-amine CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid; 1-pentanamine IUPAC Name: 2-(2-hydroxy-4-methylbenzoyl)benzoic acid; pentan-1-amine Traditional Name: amylamine; 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4.C5H13N/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/h2-8,16H,1H3,(H,18,19);2-6H2,1H3