4-oxidanylidene-4-[[5-[(phenylmethyl)amino]pyridin-2-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[5-[(phenylmethyl)amino]pyridin-2-yl]amino]butanoate Openeye Name: 4-[[5-(benzylamino)-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[5-[(phenylmethyl)amino]-2-pyridinyl]amino]butanoate IUPAC Name: 4-[[5-(benzylamino)pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(benzylamino)-2-pyridyl]amino]-4-keto-butyrate Formula: C16H16N3O3- MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H17N3O3/c20-15(8-9-16(21)22)19-14-7-6-13(11-18-14)17-10-12-4-2-1-3-5-12/h1-7,11,17H,8-10H2,(H,21,22)(H,18,19,20)/p-1