4-[[5-[ethyl-(3-methylphenyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[ethyl-(3-methylphenyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(N-ethyl-3-methyl-anilino)-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(N-ethyl-3-methylanilino)-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-(N-ethyl-3-methylanilino)pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(N-ethyl-3-methyl-anilino)-2-pyridyl]amino]-4-keto-butyrate Formula: C18H20N3O3- MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-3-21(14-6-4-5-13(2)11-14)15-7-8-16(19-12-15)20-17(22)9-10-18(23)24/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,24)(H,19,20,22)/p-1