2-azanyl-5-(4-chlorophenyl)-2-methyl-5-[3-(4-methylphenyl)carbonylphenoxy]pentanoic acid

Systemtic Name: 2-azanyl-5-(4-chlorophenyl)-2-methyl-5-[3-(4-methylphenyl)carbonylphenoxy]pentanoic acid Openeye Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-(4-methylbenzoyl)phenoxy]pentanoic acid CAS Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-[(4-methylphenyl)-oxomethyl]phenoxy]pentanoic acid IUPAC Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-(4-methylbenzoyl)phenoxy]pentanoic acid Traditional Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-(3-p-toluoylphenoxy)valeric 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(=CC=C2)OC(CCC(C)(C(=O)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO4/c1-17-6-8-19(9-7-17)24(29)20-4-3-5-22(16-20)32-23(14-15-26(2,28)25(30)31)18-10-12-21(27)13-11-18/h3-13,16,23H,14-15,28H2,1-2H3,(H,30,31)