3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoic acid Openeye Name: 3-[4-[6-(2-pyridyl)hex-5-ynylamino]phenyl]propanoic acid CAS Name: 3-[4-[6-(2-pyridinyl)hex-5-ynylamino]phenyl]propanoic acid IUPAC Name: 3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoic acid Traditional Name: 3-[4-[6-(2-pyridyl)hex-5-ynylamino]phenyl]propionic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CCCCCNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C#CCCCCNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C20H22N2O2/c23-20(24)14-11-17-9-12-19(13-10-17)22-15-5-2-1-3-7-18-8-4-6-16-21-18/h4,6,8-10,12-13,16,22H,1-2,5,11,14-15H2,(H,23,24)