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

Systemtic Name: 4-oxidanylidene-4-[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]butanoate Openeye Name: 4-[[6-(benzylamino)-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[6-[(phenylmethyl)amino]-3-pyridinyl]amino]butanoate IUPAC Name: 4-[[6-(benzylamino)pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(benzylamino)-3-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=NC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

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