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

Systemtic Name: 2-azanyl-5-[3-(4-chlorophenyl)carbonylphenoxy]-2-methyl-5-(4-methylphenyl)pentanoic acid Openeye Name: 2-amino-5-[3-(4-chlorobenzoyl)phenoxy]-2-methyl-5-(p-tolyl)pentanoic acid CAS Name: 2-amino-5-[3-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-5-(4-methylphenyl)pentanoic acid IUPAC Name: 2-amino-5-[3-(4-chlorobenzoyl)phenoxy]-2-methyl-5-(4-methylphenyl)pentanoic acid Traditional Name: 2-amino-5-[3-(4-chlorobenzoyl)phenoxy]-2-methyl-5-(p-tolyl)valeric acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC(C)(C(=O)O)N)OC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CCC(C)(C(=O)O)N)OC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

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