ethyl 5-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)amino]-2-morpholino-benzoic acid ethyl ester Formula: C29H33BrN2O5 MolecularWeight: 569.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33BrN2O5/c1-3-35-27-17-22(16-25(30)28(27)37-20-21-8-6-5-7-9-21)19-31-23-10-11-26(32-12-14-34-15-13-32)24(18-23)29(33)36-4-2/h5-11,16-18,31H,3-4,12-15,19-20H2,1-2H3