sodium 2-ethoxy-4-[2-oxidanylidene-2-[1-(2-pyrrolidin-1-ylphenyl)butylamino]ethyl]benzoate

Systemtic Name: sodium 2-ethoxy-4-[2-oxidanylidene-2-[1-(2-pyrrolidin-1-ylphenyl)butylamino]ethyl]benzoate Openeye Name: sodium 2-ethoxy-4-[2-oxo-2-[1-(2-pyrrolidin-1-ylphenyl)butylamino]ethyl]benzoate CAS Name: sodium 2-ethoxy-4-[2-oxo-2-[1-[2-(1-pyrrolidinyl)phenyl]butylamino]ethyl]benzoate IUPAC Name: sodium 2-ethoxy-4-[2-oxo-2-[1-(2-pyrrolidin-1-ylphenyl)butylamino]ethyl]benzoate Traditional Name: sodium 2-ethoxy-4-[2-keto-2-[1-(2-pyrrolidinophenyl)butylamino]ethyl]benzoate Formula: C25H31N2NaO4 MolecularWeight: 446.51441

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)[O-])OCC.[Na+]

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)[O-])OCC.[Na+]

InChI

InChI=1S/C25H32N2O4.Na/c1-3-9-21(19-10-5-6-11-22(19)27-14-7-8-15-27)26-24(28)17-18-12-13-20(25(29)30)23(16-18)31-4-2;/h5-6,10-13,16,21H,3-4,7-9,14-15,17H2,1-2H3,(H,26,28)(H,29,30);/q;+1/p-1