ethanamine; 2-[4-(3-methylbutyl)-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: ethanamine; 2-[4-(3-methylbutyl)-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: ethanamine; 2-(2-hydroxy-4-isopentyl-benzoyl)benzoic acid CAS Name: ethanamine; 2-[[2-hydroxy-4-(3-methylbutyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: ethanamine; 2-[2-hydroxy-4-(3-methylbutyl)benzoyl]benzoic acid Traditional Name: ethylamine; 2-(2-hydroxy-4-isoamyl-benzoyl)benzoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O4.C2H7N/c1-12(2)7-8-13-9-10-16(17(20)11-13)18(21)14-5-3-4-6-15(14)19(22)23;1-2-3/h3-6,9-12,20H,7-8H2,1-2H3,(H,22,23);2-3H2,1H3