sodium [1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]-2-methyl-propyl] cyclopentanecarboxylate

Systemtic Name: sodium [1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]-2-methyl-propyl] cyclopentanecarboxylate Openeye Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxy]-2-methyl-propyl] cyclopentanecarboxylate CAS Name: sodium cyclopentanecarboxylic acid [1-[[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]-2-methylpropyl] ester IUPAC Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxy]-2-methylpropyl] cyclopentanecarboxylate Traditional Name: sodium cyclopentanecarboxylic acid [1-[[4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxy]-2-methyl-propyl] ester Formula: C21H28ClNNaO6+ MolecularWeight: 448.89289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C1CCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

CC(C)C(OC(=O)C1CCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C21H28ClNO6.Na/c1-14(2)20(28-19(25)15-6-3-4-7-15)29-21(26)23-13-5-8-18(24)27-17-11-9-16(22)10-12-17;/h9-12,14-15,20H,3-8,13H2,1-2H3,(H,23,26);/q;+1