4-[[4-[2-(4-chloranyl-3-methyl-phenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-(4-chloranyl-3-methyl-phenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-[2-(4-chloro-3-methyl-phenoxy)ethoxy]benzyl]amino]-4-keto-butyric acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC2=CC=C(C=C2)CNC(=O)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC2=CC=C(C=C2)CNC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C20H22ClNO5/c1-14-12-17(6-7-18(14)21)27-11-10-26-16-4-2-15(3-5-16)13-22-19(23)8-9-20(24)25/h2-7,12H,8-11,13H2,1H3,(H,22,23)(H,24,25)