methyl 4-oxidanylidene-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoate Openeye Name: methyl 4-oxo-4-[4-[9-(2-pyridyl)non-5-ynylamino]phenyl]butanoate CAS Name: 4-oxo-4-[4-[9-(2-pyridinyl)non-5-ynylamino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoate Traditional Name: 4-keto-4-[4-[9-(2-pyridyl)non-5-ynylamino]phenyl]butyric acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(C=C1)NCCCCC#CCCCC2=CC=CC=N2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(C=C1)NCCCCC#CCCCC2=CC=CC=N2

InChI

InChI=1S/C25H30N2O3/c1-30-25(29)18-17-24(28)21-13-15-23(16-14-21)27-19-9-6-4-2-3-5-7-11-22-12-8-10-20-26-22/h8,10,12-16,20,27H,4-7,9,11,17-19H2,1H3