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

Systemtic Name: 3-methylbutan-1-amine; 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; 3-methylbutan-1-amine CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid; 3-methyl-1-butanamine IUPAC Name: 2-(2-hydroxy-4-methylbenzoyl)benzoic acid; 3-methylbutan-1-amine Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; isoamylamine Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;1-5(2)3-4-6/h2-8,16H,1H3,(H,18,19);5H,3-4,6H2,1-2H3