sodium 2-[2-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoate

Systemtic Name: sodium 2-[2-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoate Openeye Name: sodium 2-[2-[[(4-chlorobenzoyl)-(1-propylbutyl)amino]methyl]phenyl]benzoate CAS Name: sodium 2-[2-[[[(4-chlorophenyl)-oxomethyl]-heptan-4-ylamino]methyl]phenyl]benzoate IUPAC Name: sodium 2-[2-[[(4-chlorobenzoyl)-heptan-4-ylamino]methyl]phenyl]benzoate Traditional Name: sodium 2-[2-[[(4-chlorobenzoyl)-(1-propylbutyl)amino]methyl]phenyl]benzoate Formula: C28H29ClNNaO3 MolecularWeight: 485.97753

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=CC=C1C2=CC=CC=C2C(=O)[O-])C(=O)C3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC=C1C2=CC=CC=C2C(=O)[O-])C(=O)C3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C28H30ClNO3.Na/c1-3-9-23(10-4-2)30(27(31)20-15-17-22(29)18-16-20)19-21-11-5-6-12-24(21)25-13-7-8-14-26(25)28(32)33;/h5-8,11-18,23H,3-4,9-10,19H2,1-2H3,(H,32,33);/q;+1/p-1