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

Systemtic Name: 3-[[4-[3-(diethylamino)propanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[3-(diethylamino)propanoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[3-(diethylamino)-1-oxopropyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[3-(diethylamino)propanoyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[3-(diethylamino)propanoyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(CC)CCC(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H34N4O3/c1-3-30(4-2)15-14-25(33)32-18-16-31(17-19-32)20-23-26(28(34)35)22-12-8-9-13-24(22)29-27(23)21-10-6-5-7-11-21/h5-13H,3-4,14-20H2,1-2H3,(H,34,35)