sodium 3-[3-[[(4-chlorophenyl)carbonyl-phenethyl-amino]methyl]phenyl]benzoate

Systemtic Name: sodium 3-[3-[[(4-chlorophenyl)carbonyl-phenethyl-amino]methyl]phenyl]benzoate Openeye Name: sodium 3-[3-[[(4-chlorobenzoyl)-phenethyl-amino]methyl]phenyl]benzoate CAS Name: sodium 3-[3-[[[(4-chlorophenyl)-oxomethyl]-phenethylamino]methyl]phenyl]benzoate IUPAC Name: sodium 3-[3-[[(4-chlorobenzoyl)-phenethylamino]methyl]phenyl]benzoate Traditional Name: sodium 3-[3-[[(4-chlorobenzoyl)-phenethyl-amino]methyl]phenyl]benzoate Formula: C29H23ClNNaO3 MolecularWeight: 491.94059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)[O-])C(=O)C4=CC=C(C=C4)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)[O-])C(=O)C4=CC=C(C=C4)Cl.[Na+]

InChI

InChI=1S/C29H24ClNO3.Na/c30-27-14-12-23(13-15-27)28(32)31(17-16-21-6-2-1-3-7-21)20-22-8-4-9-24(18-22)25-10-5-11-26(19-25)29(33)34;/h1-15,18-19H,16-17,20H2,(H,33,34);/q;+1/p-1