5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC(=O)N

InChI

InChI=1S/C21H25N3O6/c1-28-19-10-14(2-5-18(19)30-13-20(22)25)12-23-15-3-4-17(16(11-15)21(26)27)24-6-8-29-9-7-24/h2-5,10-11,23H,6-9,12-13H2,1H3,(H2,22,25)(H,26,27)