ethyl 4-(9-pyridin-2-ylnon-5-ynylamino)benzoate

Systemtic Name: ethyl 4-(9-pyridin-2-ylnon-5-ynylamino)benzoate Openeye Name: ethyl 4-[9-(2-pyridyl)non-5-ynylamino]benzoate CAS Name: 4-[9-(2-pyridinyl)non-5-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(9-pyridin-2-ylnon-5-ynylamino)benzoate Traditional Name: 4-[9-(2-pyridyl)non-5-ynylamino]benzoic acid ethyl ester Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCC#CCCCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCC#CCCCC2=CC=CC=N2

InChI

InChI=1S/C23H28N2O2/c1-2-27-23(26)20-14-16-22(17-15-20)25-18-10-7-5-3-4-6-8-12-21-13-9-11-19-24-21/h9,11,13-17,19,25H,2,5-8,10,12,18H2,1H3