sodium 4-[4-[[butyl-(4-chlorophenyl)carbonyl-amino]methyl]phenyl]benzoate

Systemtic Name: sodium 4-[4-[[butyl-(4-chlorophenyl)carbonyl-amino]methyl]phenyl]benzoate Openeye Name: sodium 4-[4-[[butyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate CAS Name: sodium 4-[4-[[butyl-[(4-chlorophenyl)-oxomethyl]amino]methyl]phenyl]benzoate IUPAC Name: sodium 4-[4-[[butyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate Traditional Name: sodium 4-[4-[[butyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate Formula: C25H23ClNNaO3 MolecularWeight: 443.89779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)C3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C(=O)C3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C25H24ClNO3.Na/c1-2-3-16-27(24(28)21-12-14-23(26)15-13-21)17-18-4-6-19(7-5-18)20-8-10-22(11-9-20)25(29)30;/h4-15H,2-3,16-17H2,1H3,(H,29,30);/q;+1/p-1