3-[[4-[2-(oxan-2-yloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(oxan-2-yloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[3-oxo-4-(2-tetrahydropyran-2-yloxyethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(2-oxanyloxy)ethyl]-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(oxan-2-yloxy)ethyl]-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[3-keto-4-(2-tetrahydropyran-2-yloxyethyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCN2CCN(CC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCCN2CCN(CC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H31N3O5/c32-24-19-30(13-14-31(24)15-17-36-25-12-6-7-16-35-25)18-22-26(28(33)34)21-10-4-5-11-23(21)29-27(22)20-8-2-1-3-9-20/h1-5,8-11,25H,6-7,12-19H2,(H,33,34)