sodium 4-[3-(4-chlorophenyl)propylamino]benzoate

Systemtic Name: sodium 4-[3-(4-chlorophenyl)propylamino]benzoate Openeye Name: sodium 4-[3-(4-chlorophenyl)propylamino]benzoate CAS Name: sodium 4-[3-(4-chlorophenyl)propylamino]benzoate IUPAC Name: sodium 4-[3-(4-chlorophenyl)propylamino]benzoate Traditional Name: sodium 4-[3-(4-chlorophenyl)propylamino]benzoate Formula: C16H15ClNNaO2 MolecularWeight: 311.73857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNC2=CC=C(C=C2)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCCNC2=CC=C(C=C2)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H16ClNO2.Na/c17-14-7-3-12(4-8-14)2-1-11-18-15-9-5-13(6-10-15)16(19)20;/h3-10,18H,1-2,11H2,(H,19,20);/q;+1/p-1