sodium 2-[[4-cyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoate

Systemtic Name: sodium 2-[[4-cyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoate Openeye Name: sodium 2-[[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoate CAS Name: sodium 2-[[4-cyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoate IUPAC Name: sodium 2-[[4-cyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoate Traditional Name: sodium 2-[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoate Formula: C31H27N2NaO3 MolecularWeight: 498.54745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CC4=CC=CC=C4C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CC4=CC=CC=C4C(=O)[O-].[Na+]

InChI

InChI=1S/C31H28N2O3.Na/c1-20(2)16-28(27-13-7-10-22-8-3-5-11-25(22)27)30(34)33-29-17-21(19-32)14-15-24(29)18-23-9-4-6-12-26(23)31(35)36;/h3-15,17,20,28H,16,18H2,1-2H3,(H,33,34)(H,35,36);/q;+1/p-1