4-[2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]ethylamino]-4-keto-butyric acid Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O

InChI

InChI=1S/C20H22ClNO4/c1-13-11-17(12-14(2)20(13)21)26-16-5-3-15(4-6-16)9-10-22-18(23)7-8-19(24)25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,24,25)