2-[3-[4-(4-phenoxy-2-prop-2-enyl-phenoxy)butylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(4-phenoxy-2-prop-2-enyl-phenoxy)butylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(2-allyl-4-phenoxy-phenoxy)butylamino]phenyl]acetic acid CAS Name: 2-[3-[4-(4-phenoxy-2-prop-2-enylphenoxy)butylamino]phenyl]acetic acid IUPAC Name: 2-[3-[4-(4-phenoxy-2-prop-2-enylphenoxy)butylamino]phenyl]acetic acid Traditional Name: 2-[3-[4-(2-allyl-4-phenoxy-phenoxy)butylamino]phenyl]acetic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCNC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCNC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C27H29NO4/c1-2-9-22-20-25(32-24-12-4-3-5-13-24)14-15-26(22)31-17-7-6-16-28-23-11-8-10-21(18-23)19-27(29)30/h2-5,8,10-15,18,20,28H,1,6-7,9,16-17,19H2,(H,29,30)