sodium 2-(butan-2-yloxycarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: sodium 2-(butan-2-yloxycarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: sodium 3-(4-chlorophenyl)-2-(sec-butoxycarbonylamino)propanoate CAS Name: sodium 2-[[butan-2-yloxy(oxo)methyl]amino]-3-(4-chlorophenyl)propanoate IUPAC Name: sodium 2-(butan-2-yloxycarbonylamino)-3-(4-chlorophenyl)propanoate Traditional Name: sodium 3-(4-chlorophenyl)-2-(sec-butoxycarbonylamino)propionate Formula: C14H17ClNNaO4 MolecularWeight: 321.73185

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H18ClNO4.Na/c1-3-9(2)20-14(19)16-12(13(17)18)8-10-4-6-11(15)7-5-10;/h4-7,9,12H,3,8H2,1-2H3,(H,16,19)(H,17,18);/q;+1/p-1