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

Systemtic Name: ethanamine; 2-[4-(2-methylpropyl)-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: ethanamine; 2-(2-hydroxy-4-isobutyl-benzoyl)benzoic acid CAS Name: ethanamine; 2-[[2-hydroxy-4-(2-methylpropyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: ethanamine; 2-[2-hydroxy-4-(2-methylpropyl)benzoyl]benzoic acid Traditional Name: ethylamine; 2-(2-hydroxy-4-isobutyl-benzoyl)benzoic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O4.C2H7N/c1-11(2)9-12-7-8-15(16(19)10-12)17(20)13-5-3-4-6-14(13)18(21)22;1-2-3/h3-8,10-11,19H,9H2,1-2H3,(H,21,22);2-3H2,1H3