sodium 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: sodium 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: sodium 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: sodium 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: sodium 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: sodium 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylate Formula: C20H27N2NaO5 MolecularWeight: 398.42855

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)[O-].[Na+]

InChI

InChI=1S/C20H28N2O5.Na/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);/q;+1/p-1