4-[[5-(cyclooctylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(cyclooctylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(cyclooctylamino)-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(cyclooctylamino)-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(cyclooctylamino)pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-(cyclooctylamino)-2-pyridyl]amino]-4-keto-butyric acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=CN=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCCC(CCC1)NC2=CN=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H25N3O3/c21-16(10-11-17(22)23)20-15-9-8-14(12-18-15)19-13-6-4-2-1-3-5-7-13/h8-9,12-13,19H,1-7,10-11H2,(H,22,23)(H,18,20,21)