3-[3,5-bis(bromanyl)-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]ethenyl]-4-oxidanyl-5-propan-2-yl-phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]ethenyl]-4-oxidanyl-5-propan-2-yl-phenoxy]phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]vinyl]-4-hydroxy-5-isopropyl-phenoxy]phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]ethenyl]-4-hydroxy-5-propan-2-ylphenoxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]ethenyl]-4-hydroxy-5-propan-2-ylphenoxy]phenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-[3-[(E)-2-[4-(dimethylaminomethyl)phenyl]vinyl]-4-hydroxy-5-isopropyl-phenoxy]phenyl]propionic acid Formula: C29H31Br2NO4 MolecularWeight: 617.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2Br)CCC(=O)O)Br)C=CC3=CC=C(C=C3)CN(C)C)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2Br)CCC(=O)O)Br)/C=C/C3=CC=C(C=C3)CN(C)C)O

InChI

InChI=1S/C29H31Br2NO4/c1-18(2)24-16-23(36-29-25(30)13-21(14-26(29)31)10-12-27(33)34)15-22(28(24)35)11-9-19-5-7-20(8-6-19)17-32(3)4/h5-9,11,13-16,18,35H,10,12,17H2,1-4H3,(H,33,34)/b11-9+