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sodium 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylate

sodium 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylate

Systemtic Name:sodium 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylate
Openeye Name:sodium 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylate
CAS Name:sodium 2-methyl-3-[4-(1-oxoprop-2-enylamino)butoxy]-4-quinolinecarboxylate
IUPAC Name:sodium 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylate
Traditional Name:sodium 3-(4-acrylamidobutoxy)-2-methyl-cinchoninate
Formula: C18H19N2NaO4
MolecularWeight: 350.34423
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1OCCCCNC(=O)C=C)C(=O)[O-].[Na+]


Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1OCCCCNC(=O)C=C)C(=O)[O-].[Na+]


InChI

InChI=1S/C18H20N2O4.Na/c1-3-15(21)19-10-6-7-11-24-17-12(2)20-14-9-5-4-8-13(14)16(17)18(22)23;/h3-5,8-9H,1,6-7,10-11H2,2H3,(H,19,21)(H,22,23);/q;+1/p-1


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