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

Systemtic Name: 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; 2-phenylethanamine Openeye Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; 2-phenylethanamine CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid; 2-phenylethanamine IUPAC Name: 2-(2-hydroxy-4-methylbenzoyl)benzoic acid; 2-phenylethanamine Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; phenethylamine Formula: C23H23NO4 MolecularWeight: 377.43302

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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=C(C=C1)CCN

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4.C8H11N/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19;9-7-6-8-4-2-1-3-5-8/h2-8,16H,1H3,(H,18,19);1-5H,6-7,9H2