3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propionic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCNC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C27H31NO4/c1-2-7-22-20-25(32-24-8-4-3-5-9-24)15-16-26(22)31-19-6-18-28-23-13-10-21(11-14-23)12-17-27(29)30/h3-5,8-11,13-16,20,28H,2,6-7,12,17-19H2,1H3,(H,29,30)