methanamine; 2-[2-oxidanyl-4-(2-pyridin-2-ylethyl)phenyl]carbonylbenzoic acid

Systemtic Name: methanamine; 2-[2-oxidanyl-4-(2-pyridin-2-ylethyl)phenyl]carbonylbenzoic acid Openeye Name: 2-[2-hydroxy-4-[2-(2-pyridyl)ethyl]benzoyl]benzoic acid; methanamine CAS Name: 2-[[2-hydroxy-4-[2-(2-pyridinyl)ethyl]phenyl]-oxomethyl]benzoic acid; methanamine IUPAC Name: 2-[2-hydroxy-4-(2-pyridin-2-ylethyl)benzoyl]benzoic acid; methanamine Traditional Name: 2-[2-hydroxy-4-[2-(2-pyridyl)ethyl]benzoyl]benzoic acid; methylamine Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)CCC3=CC=CC=N3)O)C(=O)O

Isomeric SMILES

CN.C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)CCC3=CC=CC=N3)O)C(=O)O

InChI

InChI=1S/C21H17NO4.CH5N/c23-19-13-14(8-10-15-5-3-4-12-22-15)9-11-18(19)20(24)16-6-1-2-7-17(16)21(25)26;1-2/h1-7,9,11-13,23H,8,10H2,(H,25,26);2H2,1H3