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

Systemtic Name: (3-bromanyl-2-methyl-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Openeye Name: (3-bromo-2-methyl-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: (3-bromo-2-methylphenyl)-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]methanone IUPAC Name: (3-bromo-2-methylphenyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Traditional Name: (3-bromo-2-methyl-phenyl)-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C21H20BrNO3 MolecularWeight: 414.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C=CC=C1Br)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H20BrNO3/c1-3-16-6-4-7-17(12-16)26-14-18-13-23(10-11-25-18)21(24)19-8-5-9-20(22)15(19)2/h1,4-9,12,18H,10-11,13-14H2,2H3