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

Systemtic Name: 2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 2-phenylethanamine Openeye Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; 2-phenylethanamine CAS Name: 2-[(4-ethyl-2-hydroxyphenyl)-oxomethyl]benzoic acid; 2-phenylethanamine IUPAC Name: 2-(4-ethyl-2-hydroxybenzoyl)benzoic acid; 2-phenylethanamine Traditional Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; phenethylamine Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4.C8H11N/c1-2-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20;9-7-6-8-4-2-1-3-5-8/h3-9,17H,2H2,1H3,(H,19,20);1-5H,6-7,9H2