(2-bromanyl-5-methoxy-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H20BrNO4/c1-3-15-5-4-6-17(11-15)27-14-18-13-23(9-10-26-18)21(24)19-12-16(25-2)7-8-20(19)22/h1,4-8,11-12,18H,9-10,13-14H2,2H3