4-oxidanylidene-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoic acid Openeye Name: 4-oxo-4-[4-[9-(2-pyridyl)non-5-ynylamino]phenyl]butanoic acid CAS Name: 4-oxo-4-[4-[9-(2-pyridinyl)non-5-ynylamino]phenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(9-pyridin-2-ylnon-5-ynylamino)phenyl]butanoic acid Traditional Name: 4-keto-4-[4-[9-(2-pyridyl)non-5-ynylamino]phenyl]butyric acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c27-23(16-17-24(28)29)20-12-14-22(15-13-20)26-18-8-5-3-1-2-4-6-10-21-11-7-9-19-25-21/h7,9,11-15,19,26H,3-6,8,10,16-18H2,(H,28,29)