3-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[9H-fluoren-9-ylmethoxy(oxo)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C36H31N3O4 MolecularWeight: 569.64904

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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)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C36H31N3O4/c40-35(41)33-29-16-8-9-17-32(29)37-34(24-10-2-1-3-11-24)30(33)22-38-18-20-39(21-19-38)36(42)43-23-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31/h1-17,31H,18-23H2,(H,40,41)