3-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazino]methyl]-2-(2-thienyl)cinchoninic acid Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCOCCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H27N3O4S/c27-12-14-30-13-11-25-7-9-26(10-8-25)16-18-21(23(28)29)17-4-1-2-5-19(17)24-22(18)20-6-3-15-31-20/h1-6,15,27H,7-14,16H2,(H,28,29)