3-[[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(3-morpholinopropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[3-(4-morpholinyl)-1-oxopropyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(3-morpholinopropanoyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=O)CCN5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=O)CCN5CCOCC5

InChI

InChI=1S/C28H32N4O4/c33-25(10-11-30-16-18-36-19-17-30)32-14-12-31(13-15-32)20-23-26(28(34)35)22-8-4-5-9-24(22)29-27(23)21-6-2-1-3-7-21/h1-9H,10-20H2,(H,34,35)