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

Systemtic Name: 4-[[5-[(4-methylphenyl)methylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[[5-(p-tolylmethylamino)-2-pyridyl]amino]butanoate CAS Name: 4-[[5-[(4-methylphenyl)methylamino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(4-methylphenyl)methylamino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[(4-methylbenzyl)amino]-2-pyridyl]amino]butyrate Formula: C17H18N3O3- MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-12-2-4-13(5-3-12)10-18-14-6-7-15(19-11-14)20-16(21)8-9-17(22)23/h2-7,11,18H,8-10H2,1H3,(H,22,23)(H,19,20,21)/p-1