methyl 3-azanyl-4-(2-chloranyl-5-methoxy-phenoxy)-5-[2-(oxan-2-yloxy)ethoxy]benzoate

Systemtic Name: methyl 3-azanyl-4-(2-chloranyl-5-methoxy-phenoxy)-5-[2-(oxan-2-yloxy)ethoxy]benzoate Openeye Name: methyl 3-amino-4-(2-chloro-5-methoxy-phenoxy)-5-(2-tetrahydropyran-2-yloxyethoxy)benzoate CAS Name: 3-amino-4-(2-chloro-5-methoxyphenoxy)-5-[2-(2-oxanyloxy)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-chloro-5-methoxyphenoxy)-5-[2-(oxan-2-yloxy)ethoxy]benzoate Traditional Name: 3-amino-4-(2-chloro-5-methoxy-phenoxy)-5-(2-tetrahydropyran-2-yloxyethoxy)benzoic acid methyl ester Formula: C22H26ClNO7 MolecularWeight: 451.89734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(C=C(C=C2OCCOC3CCCCO3)C(=O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(C=C(C=C2OCCOC3CCCCO3)C(=O)OC)N

InChI

InChI=1S/C22H26ClNO7/c1-26-15-6-7-16(23)18(13-15)31-21-17(24)11-14(22(25)27-2)12-19(21)28-9-10-30-20-5-3-4-8-29-20/h6-7,11-13,20H,3-5,8-10,24H2,1-2H3