ethyl 3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoate

Systemtic Name: ethyl 3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoate Openeye Name: ethyl 3-[4-[6-(2-pyridyl)hex-5-ynylamino]phenyl]propanoate CAS Name: 3-[4-[6-(2-pyridinyl)hex-5-ynylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(6-pyridin-2-ylhex-5-ynylamino)phenyl]propanoate Traditional Name: 3-[4-[6-(2-pyridyl)hex-5-ynylamino]phenyl]propionic acid ethyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)NCCCCC#CC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)NCCCCC#CC2=CC=CC=N2

InChI

InChI=1S/C22H26N2O2/c1-2-26-22(25)16-13-19-11-14-21(15-12-19)24-17-7-4-3-5-9-20-10-6-8-18-23-20/h6,8,10-12,14-15,18,24H,2-4,7,13,16-17H2,1H3