6-[2-azanyl-1-(2-chloranyl-4-phenoxy-phenyl)-1-oxidanyl-2-oxidanylidene-ethoxy]hexanoic acid

Systemtic Name: 6-[2-azanyl-1-(2-chloranyl-4-phenoxy-phenyl)-1-oxidanyl-2-oxidanylidene-ethoxy]hexanoic acid Openeye Name: 6-[2-amino-1-(2-chloro-4-phenoxy-phenyl)-1-hydroxy-2-oxo-ethoxy]hexanoic acid CAS Name: 6-[2-amino-1-(2-chloro-4-phenoxyphenyl)-1-hydroxy-2-oxoethoxy]hexanoic acid IUPAC Name: 6-[2-amino-1-(2-chloro-4-phenoxyphenyl)-1-hydroxy-2-oxoethoxy]hexanoic acid Traditional Name: 6-[2-amino-1-(2-chloro-4-phenoxy-phenyl)-1-hydroxy-2-keto-ethoxy]hexanoic acid Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=C(C=C2)C(C(=O)N)(O)OCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=C(C=C2)C(C(=O)N)(O)OCCCCCC(=O)O)Cl

InChI

InChI=1S/C20H22ClNO6/c21-17-13-15(28-14-7-3-1-4-8-14)10-11-16(17)20(26,19(22)25)27-12-6-2-5-9-18(23)24/h1,3-4,7-8,10-11,13,26H,2,5-6,9,12H2,(H2,22,25)(H,23,24)