3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propanoic acid

Systemtic Name: 3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propanoic acid Openeye Name: 3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propanoic acid CAS Name: 3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propanoic acid IUPAC Name: 3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propanoic acid Traditional Name: 3-[3-[4-[3-(3-bromophenyl)propoxy]phenyl]propylamino]propionic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CCCOC2=CC=C(C=C2)CCCNCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CCCOC2=CC=C(C=C2)CCCNCCC(=O)O

InChI

InChI=1S/C21H26BrNO3/c22-19-7-1-4-18(16-19)6-3-15-26-20-10-8-17(9-11-20)5-2-13-23-14-12-21(24)25/h1,4,7-11,16,23H,2-3,5-6,12-15H2,(H,24,25)