9H-fluoren-9-ylmethyl 4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenyl-quinolin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenyl-quinolin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenyl-3-quinolyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[(1S)-1-cyclohexylethyl]amino]-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-1-piperazinecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenylquinolin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenyl-3-quinolyl]methyl]piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C44H46N4O3 MolecularWeight: 678.86104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

InChI

InChI=1S/C44H46N4O3/c1-30(31-14-4-2-5-15-31)45-43(49)41-37-22-12-13-23-40(37)46-42(32-16-6-3-7-17-32)38(41)28-47-24-26-48(27-25-47)44(50)51-29-39-35-20-10-8-18-33(35)34-19-9-11-21-36(34)39/h3,6-13,16-23,30-31,39H,2,4-5,14-15,24-29H2,1H3,(H,45,49)/t30-/m0/s1