4-[2-(phenylmethyl)-4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid

Systemtic Name: 4-[2-(phenylmethyl)-4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid Openeye Name: 4-[2-benzyl-4-[3-(2-pyridylamino)propoxy]phenyl]butanoic acid CAS Name: 4-[2-(phenylmethyl)-4-[3-(2-pyridinylamino)propoxy]phenyl]butanoic acid IUPAC Name: 4-[2-benzyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid Traditional Name: 4-[2-benzyl-4-[3-(2-pyridylamino)propoxy]phenyl]butyric acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)OCCCNC3=CC=CC=N3)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)OCCCNC3=CC=CC=N3)CCCC(=O)O

InChI

InChI=1S/C25H28N2O3/c28-25(29)12-6-10-21-13-14-23(19-22(21)18-20-8-2-1-3-9-20)30-17-7-16-27-24-11-4-5-15-26-24/h1-5,8-9,11,13-15,19H,6-7,10,12,16-18H2,(H,26,27)(H,28,29)