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

Systemtic Name: 2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid; propan-2-amine Openeye Name: 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid; propan-2-amine CAS Name: 2-[(2-hydroxy-4-propylphenyl)-oxomethyl]benzoic acid; 2-propanamine IUPAC Name: 2-(2-hydroxy-4-propylbenzoyl)benzoic acid; propan-2-amine Traditional Name: 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid; isopropylamine Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)N

Isomeric SMILES

CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)N

InChI

InChI=1S/C17H16O4.C3H9N/c1-2-5-11-8-9-14(15(18)10-11)16(19)12-6-3-4-7-13(12)17(20)21;1-3(2)4/h3-4,6-10,18H,2,5H2,1H3,(H,20,21);3H,4H2,1-2H3