sodium 4-[(4-chlorophenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoate

Systemtic Name: sodium 4-[(4-chlorophenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoate Openeye Name: sodium 4-[(4-chlorobenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butanoate CAS Name: sodium 4-[[(4-chlorophenyl)-oxomethyl]-(2,4,4-trimethylpentan-2-yl)amino]butanoate IUPAC Name: sodium 4-[(4-chlorobenzoyl)-(2,4,4-trimethylpentan-2-yl)amino]butanoate Traditional Name: sodium 4-[(4-chlorobenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butyrate Formula: C19H27ClNNaO3 MolecularWeight: 375.86535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N(CCCC(=O)[O-])C(=O)C1=CC=C(C=C1)Cl.[Na+]

Isomeric SMILES

CC(C)(C)CC(C)(C)N(CCCC(=O)[O-])C(=O)C1=CC=C(C=C1)Cl.[Na+]

InChI

InChI=1S/C19H28ClNO3.Na/c1-18(2,3)13-19(4,5)21(12-6-7-16(22)23)17(24)14-8-10-15(20)11-9-14;/h8-11H,6-7,12-13H2,1-5H3,(H,22,23);/q;+1/p-1