5-[[2-chloranyl-6-(4-methoxyphenoxy)phenyl]methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-chloranyl-6-(4-methoxyphenoxy)phenyl]methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[2-chloro-6-(4-methoxyphenoxy)benzyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NCC1=C(C=CC=C1Cl)OC2=CC=C(C=C2)OC)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NCC1=C(C=CC=C1Cl)OC2=CC=C(C=C2)OC)CC(=O)O

InChI

InChI=1S/C21H24ClNO5/c1-21(2,12-20(25)26)11-19(24)23-13-16-17(22)5-4-6-18(16)28-15-9-7-14(27-3)8-10-15/h4-10H,11-13H2,1-3H3,(H,23,24)(H,25,26)