2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylic acid

Systemtic Name: 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylic acid Openeye Name: 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylic acid CAS Name: 2-methyl-3-[4-(1-oxoprop-2-enylamino)butoxy]-4-quinolinecarboxylic acid IUPAC Name: 2-methyl-3-[4-(prop-2-enoylamino)butoxy]quinoline-4-carboxylic acid Traditional Name: 3-(4-acrylamidobutoxy)-2-methyl-cinchoninic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1OCCCCNC(=O)C=C)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1OCCCCNC(=O)C=C)C(=O)O

InChI

InChI=1S/C18H20N2O4/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)