3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[(E)-7-(3-bromophenyl)hept-6-enyl]amino]phenyl]propionic acid Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=CCCCCCNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/CCCCCNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C22H26BrNO2/c23-20-9-6-8-19(17-20)7-4-2-1-3-5-16-24-21-13-10-18(11-14-21)12-15-22(25)26/h4,6-11,13-14,17,24H,1-3,5,12,15-16H2,(H,25,26)/b7-4+