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

Systemtic Name: 4-[[3-[2-(4-chloranyl-3-methyl-phenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[2-(4-chloro-3-methyl-phenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C20H21ClNO5- MolecularWeight: 390.83744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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