5-(3-azanylpyrrolidin-1-yl)-2-methyl-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-(3-azanylpyrrolidin-1-yl)-2-methyl-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-(3-aminopyrrolidin-1-yl)-2-methyl-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-(3-amino-1-pyrrolidinyl)-2-methyl-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-(3-aminopyrrolidin-1-yl)-2-methyl-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-(3-aminopyrrolidino)-4-keto-2-methyl-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1C3COC3)C=CC=C2N4CCC(C4)N)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=C(N1C3COC3)C=CC=C2N4CCC(C4)N)C(=O)O

InChI

InChI=1S/C18H21N3O4/c1-10-15(18(23)24)17(22)16-13(20-6-5-11(19)7-20)3-2-4-14(16)21(10)12-8-25-9-12/h2-4,11-12H,5-9,19H2,1H3,(H,23,24)