2-(4-azanyl-3,5-dibutyl-2-oxidanyl-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(4-azanyl-3,5-dibutyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: 2-(4-amino-3,5-dibutyl-2-hydroxy-benzoyl)benzoic acid CAS Name: 2-[(4-amino-3,5-dibutyl-2-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 2-(4-amino-3,5-dibutyl-2-hydroxybenzoyl)benzoic acid Traditional Name: 2-(4-amino-3,5-dibutyl-2-hydroxy-benzoyl)benzoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)CCCC)N

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)CCCC)N

InChI

InChI=1S/C22H27NO4/c1-3-5-9-14-13-18(21(25)17(19(14)23)10-6-4-2)20(24)15-11-7-8-12-16(15)22(26)27/h7-8,11-13,25H,3-6,9-10,23H2,1-2H3,(H,26,27)