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

Systemtic Name: 5-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C26H27ClN2O5 MolecularWeight: 482.95598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN2O5/c1-32-25-14-18(5-8-24(25)34-17-19-3-2-4-20(27)13-19)16-28-21-6-7-23(22(15-21)26(30)31)29-9-11-33-12-10-29/h2-8,13-15,28H,9-12,16-17H2,1H3,(H,30,31)