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

Systemtic Name: 4-[[6-[methyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[benzyl(methyl)amino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[methyl-(phenylmethyl)amino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[benzyl(methyl)amino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[benzyl(methyl)amino]-3-pyridyl]amino]-4-keto-butyrate Formula: C17H18N3O3- MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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