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

Systemtic Name: 5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C27H29ClN2O5 MolecularWeight: 496.98256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN2O5/c1-2-34-26-15-19(7-10-25(26)35-18-20-5-3-4-6-23(20)28)17-29-21-8-9-24(22(16-21)27(31)32)30-11-13-33-14-12-30/h3-10,15-16,29H,2,11-14,17-18H2,1H3,(H,31,32)