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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO6.Na/c1-2-6-19(28-20(25)15-7-3-4-8-15)29-21(26)23-14-5-9-18(24)27-17-12-10-16(22)11-13-17;/h10-13,15,19H,2-9,14H2,1H3,(H,23,26);/q;+1