3-[2-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid Openeye Name: 3-[2-[4-(2-pyridylamino)butoxy]phenyl]propanoic acid CAS Name: 3-[2-[4-(2-pyridinylamino)butoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid Traditional Name: 3-[2-[4-(2-pyridylamino)butoxy]phenyl]propionic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)O)OCCCCNC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)O)OCCCCNC2=CC=CC=N2

InChI

InChI=1S/C18H22N2O3/c21-18(22)11-10-15-7-1-2-8-16(15)23-14-6-5-13-20-17-9-3-4-12-19-17/h1-4,7-9,12H,5-6,10-11,13-14H2,(H,19,20)(H,21,22)