methyl 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]amino]-2-morpholino-benzoic acid methyl ester Formula: C23H28BrN3O6 MolecularWeight: 522.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br)OCC(=O)N

InChI

InChI=1S/C23H28BrN3O6/c1-3-32-20-11-15(10-18(24)22(20)33-14-21(25)28)13-26-16-4-5-19(17(12-16)23(29)30-2)27-6-8-31-9-7-27/h4-5,10-12,26H,3,6-9,13-14H2,1-2H3,(H2,25,28)