2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 2-pyridin-2-ylethanamine

Systemtic Name: 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 2-pyridin-2-ylethanamine Openeye Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; 2-(2-pyridyl)ethanamine CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid; 2-(2-pyridinyl)ethanamine IUPAC Name: 2-(2-hydroxy-4-methylbenzoyl)benzoic acid; 2-pyridin-2-ylethanamine Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; 2-(2-pyridyl)ethylamine Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4.C7H10N2/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19;8-5-4-7-3-1-2-6-9-7/h2-8,16H,1H3,(H,18,19);1-3,6H,4-5,8H2