2-[2-(dimethylamino)-2-methyl-pyrrolidin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(dimethylamino)-2-methyl-pyrrolidin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 2-[2-(dimethylamino)-2-methyl-pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 2-[2-(dimethylamino)-2-methyl-1-pyrrolidinyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 2-[2-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 2-[2-(dimethylamino)-2-methyl-pyrrolidino]-4-keto-1H-quinoline-3-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)N(C)C

Isomeric SMILES

CC1(CCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)N(C)C

InChI

InChI=1S/C17H21N3O3/c1-17(19(2)3)9-6-10-20(17)15-13(16(22)23)14(21)11-7-4-5-8-12(11)18-15/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)(H,22,23)