5-[4-(2-azanylethyl)phenyl]-5-pyridin-3-yl-pentanoic acid

Systemtic Name: 5-[4-(2-azanylethyl)phenyl]-5-pyridin-3-yl-pentanoic acid Openeye Name: 5-[4-(2-aminoethyl)phenyl]-5-(3-pyridyl)pentanoic acid CAS Name: 5-[4-(2-aminoethyl)phenyl]-5-(3-pyridinyl)pentanoic acid IUPAC Name: 5-[4-(2-aminoethyl)phenyl]-5-pyridin-3-ylpentanoic acid Traditional Name: 5-[4-(2-aminoethyl)phenyl]-5-(3-pyridyl)valeric acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCC(=O)O)C2=CC=C(C=C2)CCN

Isomeric SMILES

C1=CC(=CN=C1)C(CCCC(=O)O)C2=CC=C(C=C2)CCN

InChI

InChI=1S/C18H22N2O2/c19-11-10-14-6-8-15(9-7-14)17(4-1-5-18(21)22)16-3-2-12-20-13-16/h2-3,6-9,12-13,17H,1,4-5,10-11,19H2,(H,21,22)