2-azanyl-6-(4-chlorophenyl)-6-[4-(4-methylphenyl)carbonylphenoxy]hexanoic acid

Systemtic Name: 2-azanyl-6-(4-chlorophenyl)-6-[4-(4-methylphenyl)carbonylphenoxy]hexanoic acid Openeye Name: 2-amino-6-(4-chlorophenyl)-6-[4-(4-methylbenzoyl)phenoxy]hexanoic acid CAS Name: 2-amino-6-(4-chlorophenyl)-6-[4-[(4-methylphenyl)-oxomethyl]phenoxy]hexanoic acid IUPAC Name: 2-amino-6-(4-chlorophenyl)-6-[4-(4-methylbenzoyl)phenoxy]hexanoic acid Traditional Name: 2-amino-6-(4-chlorophenyl)-6-(4-p-toluoylphenoxy)hexanoic acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(CCCC(C(=O)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(CCCC(C(=O)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H26ClNO4/c1-17-5-7-19(8-6-17)25(29)20-11-15-22(16-12-20)32-24(4-2-3-23(28)26(30)31)18-9-13-21(27)14-10-18/h5-16,23-24H,2-4,28H2,1H3,(H,30,31)