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

Systemtic Name: 4-[[6-[ethyl-(3-methylphenyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(N-ethyl-3-methyl-anilino)-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(N-ethyl-3-methylanilino)-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(N-ethyl-3-methylanilino)pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(N-ethyl-3-methyl-anilino)-3-pyridyl]amino]-4-keto-butyrate Formula: C18H20N3O3- MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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