4-[1-(4-chloranyl-2-phenethyl-phenoxy)-3-(dimethylamino)propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-chloranyl-2-phenethyl-phenoxy)-3-(dimethylamino)propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(4-chloro-2-phenethyl-phenoxy)methyl]-2-(dimethylamino)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(4-chloro-2-phenethylphenoxy)-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-(4-chloro-2-phenethylphenoxy)-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[(4-chloro-2-phenethyl-phenoxy)methyl]-2-(dimethylamino)ethoxy]-4-keto-butyric acid Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=C(C=C(C=C1)Cl)CCC2=CC=CC=C2)OC(=O)CCC(=O)O

Isomeric SMILES

CN(C)CC(COC1=C(C=C(C=C1)Cl)CCC2=CC=CC=C2)OC(=O)CCC(=O)O

InChI

InChI=1S/C23H28ClNO5/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-11-10-19(24)14-18(21)9-8-17-6-4-3-5-7-17/h3-7,10-11,14,20H,8-9,12-13,15-16H2,1-2H3,(H,26,27)