4-oxidanylidene-4-[[6-(pentylamino)pyridin-3-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[6-(pentylamino)pyridin-3-yl]amino]butanoate Openeye Name: 4-oxo-4-[[6-(pentylamino)-3-pyridyl]amino]butanoate CAS Name: 4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoate IUPAC Name: 4-oxo-4-[[6-(pentylamino)pyridin-3-yl]amino]butanoate Traditional Name: 4-[[6-(amylamino)-3-pyridyl]amino]-4-keto-butyrate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-2-3-4-9-15-12-6-5-11(10-16-12)17-13(18)7-8-14(19)20/h5-6,10H,2-4,7-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)/p-1