tert-butyl 3-azanyl-4-[1-(5-methoxy-2-oxidanyl-phenyl)carbonylazetidin-3-yl]oxy-benzoate

Systemtic Name: tert-butyl 3-azanyl-4-[1-(5-methoxy-2-oxidanyl-phenyl)carbonylazetidin-3-yl]oxy-benzoate Openeye Name: tert-butyl 3-amino-4-[1-(2-hydroxy-5-methoxy-benzoyl)azetidin-3-yl]oxy-benzoate CAS Name: 3-amino-4-[[1-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-3-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-4-[1-(2-hydroxy-5-methoxybenzoyl)azetidin-3-yl]oxybenzoate Traditional Name: 3-amino-4-[1-(2-hydroxy-5-methoxy-benzoyl)azetidin-3-yl]oxy-benzoic acid tert-butyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)OC2CN(C2)C(=O)C3=C(C=CC(=C3)OC)O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)OC2CN(C2)C(=O)C3=C(C=CC(=C3)OC)O)N

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-21(27)13-5-8-19(17(23)9-13)29-15-11-24(12-15)20(26)16-10-14(28-4)6-7-18(16)25/h5-10,15,25H,11-12,23H2,1-4H3