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

Systemtic Name: 9H-fluoren-9-ylmethyl 4-[[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 4-[[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[oxo-[[(1S)-1-phenylpropyl]amino]methyl]-2-phenyl-3-quinolinyl]methyl]-1-piperazinecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 4-[[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl]methyl]piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C45H42N4O3 MolecularWeight: 686.83998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)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

CC[C@@H](C1=CC=CC=C1)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/C45H42N4O3/c1-2-40(31-15-5-3-6-16-31)47-44(50)42-37-23-13-14-24-41(37)46-43(32-17-7-4-8-18-32)38(42)29-48-25-27-49(28-26-48)45(51)52-30-39-35-21-11-9-19-33(35)34-20-10-12-22-36(34)39/h3-24,39-40H,2,25-30H2,1H3,(H,47,50)/t40-/m0/s1