4-(azepan-1-yl)-2-[[4-(4-chlorophenyl)carbonylphenoxy]methyl]-2-methyl-butanoic acid

Systemtic Name: 4-(azepan-1-yl)-2-[[4-(4-chlorophenyl)carbonylphenoxy]methyl]-2-methyl-butanoic acid Openeye Name: 4-(azepan-1-yl)-2-[[4-(4-chlorobenzoyl)phenoxy]methyl]-2-methyl-butanoic acid CAS Name: 4-(1-azepanyl)-2-[[4-[(4-chlorophenyl)-oxomethyl]phenoxy]methyl]-2-methylbutanoic acid IUPAC Name: 4-(azepan-1-yl)-2-[[4-(4-chlorobenzoyl)phenoxy]methyl]-2-methylbutanoic acid Traditional Name: 4-(azepan-1-yl)-2-[[4-(4-chlorobenzoyl)phenoxy]methyl]-2-methyl-butyric acid Formula: C25H30ClNO4 MolecularWeight: 443.963

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCCCCC1)(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(CCN1CCCCCC1)(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C25H30ClNO4/c1-25(24(29)30,14-17-27-15-4-2-3-5-16-27)18-31-22-12-8-20(9-13-22)23(28)19-6-10-21(26)11-7-19/h6-13H,2-5,14-18H2,1H3,(H,29,30)