6-azanyl-1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-8-methyl-7-(3-methylolpiperidino)quinoline-3-carboxylic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCCC(C3)CO)N)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCCC(C3)CO)N)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C20H25N3O4/c1-11-17-14(19(25)15(20(26)27)9-23(17)13-4-5-13)7-16(21)18(11)22-6-2-3-12(8-22)10-24/h7,9,12-13,24H,2-6,8,10,21H2,1H3,(H,26,27)