2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; propan-2-amine

Systemtic Name: 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid; propan-2-amine Openeye Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; propan-2-amine CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid; 2-propanamine IUPAC Name: 2-(2-hydroxy-4-methylbenzoyl)benzoic acid; propan-2-amine Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; isopropylamine Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4.C3H9N/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19;1-3(2)4/h2-8,16H,1H3,(H,18,19);3H,4H2,1-2H3