sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate

Systemtic Name: sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate Openeye Name: sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate CAS Name: sodium 6-[butylamino(oxo)methyl]-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate IUPAC Name: sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate Traditional Name: sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate Formula: C16H21N2NaO3 MolecularWeight: 312.33931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)N(C(CC2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)N(C(CC2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H22N2O3.Na/c1-3-4-9-17-15(19)12-6-7-13-11(10-12)5-8-14(16(20)21)18(13)2;/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,17,19)(H,20,21);/q;+1/p-1