sodium (1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: sodium (1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: sodium (1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: sodium (1R,3S)-3-[(3-dodecoxypropylamino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: sodium (1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: sodium (1R,3S)-3-(3-lauryloxypropylcarbamoyl)-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C25H46NNaO4 MolecularWeight: 447.62681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1CCC(C1(C)C)(C)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)[C@H]1CC[C@@](C1(C)C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H47NO4.Na/c1-5-6-7-8-9-10-11-12-13-14-19-30-20-15-18-26-22(27)21-16-17-25(4,23(28)29)24(21,2)3;/h21H,5-20H2,1-4H3,(H,26,27)(H,28,29);/q;+1/p-1/t21-,25+;/m1./s1