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

Systemtic Name: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4,4-bis(hydroxymethyl)-1-piperidyl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4,4-bis(hydroxymethyl)-1-piperidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,4-dimethylolpiperidino)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)(CO)CO

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)(CO)CO

InChI

InChI=1S/C21H26N2O5/c1-13-17(22-8-6-21(11-24,12-25)7-9-22)5-4-15-18(13)23(14-2-3-14)10-16(19(15)26)20(27)28/h4-5,10,14,24-25H,2-3,6-9,11-12H2,1H3,(H,27,28)