ethyl 4-(6-pyridin-2-ylhex-5-ynylamino)benzoate

Systemtic Name: ethyl 4-(6-pyridin-2-ylhex-5-ynylamino)benzoate Openeye Name: ethyl 4-[6-(2-pyridyl)hex-5-ynylamino]benzoate CAS Name: 4-[6-(2-pyridinyl)hex-5-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-pyridin-2-ylhex-5-ynylamino)benzoate Traditional Name: 4-[6-(2-pyridyl)hex-5-ynylamino]benzoic acid ethyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2/c1-2-24-20(23)17-11-13-19(14-12-17)22-15-7-4-3-5-9-18-10-6-8-16-21-18/h6,8,10-14,16,22H,2-4,7,15H2,1H3