sodium 5-[[3-[2-azanyl-3-cyano-6-(2-methoxyphenyl)pyridin-4-yl]phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium 5-[[3-[2-azanyl-3-cyano-6-(2-methoxyphenyl)pyridin-4-yl]phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium 5-[3-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridyl]anilino]-4-hydroxy-5-oxo-pentanoate CAS Name: sodium 5-[3-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]anilino]-4-hydroxy-5-oxopentanoate IUPAC Name: sodium 5-[3-[2-amino-3-cyano-6-(2-methoxyphenyl)pyridin-4-yl]anilino]-4-hydroxy-5-oxopentanoate Traditional Name: sodium 5-[3-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridyl]anilino]-4-hydroxy-5-keto-valerate Formula: C24H21N4NaO5 MolecularWeight: 468.43711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(C(=C2)C3=CC(=CC=C3)NC(=O)C(CCC(=O)[O-])O)C#N)N.[Na+]

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(C(=C2)C3=CC(=CC=C3)NC(=O)C(CCC(=O)[O-])O)C#N)N.[Na+]

InChI

InChI=1S/C24H22N4O5.Na/c1-33-21-8-3-2-7-16(21)19-12-17(18(13-25)23(26)28-19)14-5-4-6-15(11-14)27-24(32)20(29)9-10-22(30)31;/h2-8,11-12,20,29H,9-10H2,1H3,(H2,26,28)(H,27,32)(H,30,31);/q;+1/p-1