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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1N(CC)CC)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1N(CC)CC)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H34N4O3/c1-4-25(33)32-17-16-30(19-24(32)31(5-2)6-3)18-22-26(28(34)35)21-14-10-11-15-23(21)29-27(22)20-12-8-7-9-13-20/h7-15,24H,4-6,16-19H2,1-3H3,(H,34,35)