2-[4-[3-(2-butyl-4-phenoxy-phenoxy)propylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(2-butyl-4-phenoxy-phenoxy)propylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(2-butyl-4-phenoxy-phenoxy)propylamino]phenyl]acetic acid CAS Name: 2-[4-[3-(2-butyl-4-phenoxyphenoxy)propylamino]phenyl]acetic acid IUPAC Name: 2-[4-[3-(2-butyl-4-phenoxyphenoxy)propylamino]phenyl]acetic acid Traditional Name: 2-[4-[3-(2-butyl-4-phenoxy-phenoxy)propylamino]phenyl]acetic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCNC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCNC3=CC=C(C=C3)CC(=O)O

InChI

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