2-[4-[(E)-3-(4-bromophenyl)-6-morpholin-4-yl-hex-2-en-4-ynoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)-6-morpholin-4-yl-hex-2-en-4-ynoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)-6-morpholino-hex-2-en-4-ynoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(4-bromophenyl)-6-(4-morpholinyl)hex-2-en-4-ynoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)-6-morpholin-4-ylhex-2-en-4-ynoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-bromophenyl)-6-morpholino-hex-2-en-4-ynoxy]-2-methyl-phenoxy]acetic acid Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C(C#CCN2CCOCC2)C3=CC=C(C=C3)Br)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC/C=C(/C#CCN2CCOCC2)\C3=CC=C(C=C3)Br)OCC(=O)O

InChI

InChI=1S/C25H26BrNO5/c1-19-17-23(8-9-24(19)32-18-25(28)29)31-14-10-20(21-4-6-22(26)7-5-21)3-2-11-27-12-15-30-16-13-27/h4-10,17H,11-16,18H2,1H3,(H,28,29)/b20-10-