2-(hexoxymethyl)-4-oxidanylidene-1-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-(hexoxymethyl)-4-oxidanylidene-1-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-(hexoxymethyl)-4-oxo-1-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-(hexoxymethyl)-4-oxo-1-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(hexoxymethyl)-4-oxo-1-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-(hexoxymethyl)-4-keto-1-piperazino-quinoline-3-carboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C(=O)C2=CC=CC=C2N1N3CCNCC3)C(=O)O

Isomeric SMILES

CCCCCCOCC1=C(C(=O)C2=CC=CC=C2N1N3CCNCC3)C(=O)O

InChI

InChI=1S/C21H29N3O4/c1-2-3-4-7-14-28-15-18-19(21(26)27)20(25)16-8-5-6-9-17(16)24(18)23-12-10-22-11-13-23/h5-6,8-9,22H,2-4,7,10-15H2,1H3,(H,26,27)