ethanamine; 2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid

Systemtic Name: ethanamine; 2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: ethanamine; 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid CAS Name: ethanamine; 2-[(4-ethyl-2-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: ethanamine; 2-(4-ethyl-2-hydroxybenzoyl)benzoic acid Traditional Name: ethylamine; 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4.C2H7N/c1-2-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20;1-2-3/h3-9,17H,2H2,1H3,(H,19,20);2-3H2,1H3