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

Systemtic Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propanoic acid Openeye Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]propanoic acid CAS Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]propanoic acid IUPAC Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]propanoic acid Traditional Name: 2-[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)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-3-8-22-19-25(32-24-9-5-4-6-10-24)15-16-26(22)31-18-7-17-28-23-13-11-21(12-14-23)20(2)27(29)30/h4-6,9-16,19-20,28H,3,7-8,17-18H2,1-2H3,(H,29,30)