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

Systemtic Name: 3-[[4-[3-(oxan-2-yloxy)propyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[3-oxo-4-(3-tetrahydropyran-2-yloxypropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[3-(2-oxanyloxy)propyl]-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[3-(oxan-2-yloxy)propyl]-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[3-keto-4-(3-tetrahydropyran-2-yloxypropyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCN2CCN(CC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCCCN2CCN(CC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H33N3O5/c33-25-20-31(15-16-32(25)14-8-18-37-26-13-6-7-17-36-26)19-23-27(29(34)35)22-11-4-5-12-24(22)30-28(23)21-9-2-1-3-10-21/h1-5,9-12,26H,6-8,13-20H2,(H,34,35)