methyl (2S,4R)-1-(1-phenethylpiperidin-4-yl)-4-[(2-phenylquinolin-4-yl)carbonylamino]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(1-phenethylpiperidin-4-yl)-4-[(2-phenylquinolin-4-yl)carbonylamino]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-(1-phenethyl-4-piperidyl)-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-1-(1-phenethyl-4-piperidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(1-phenethylpiperidin-4-yl)-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(1-phenethyl-4-piperidyl)-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C35H38N4O3 MolecularWeight: 562.70122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C35H38N4O3/c1-42-35(41)33-22-27(24-39(33)28-17-20-38(21-18-28)19-16-25-10-4-2-5-11-25)36-34(40)30-23-32(26-12-6-3-7-13-26)37-31-15-9-8-14-29(30)31/h2-15,23,27-28,33H,16-22,24H2,1H3,(H,36,40)/t27-,33+/m1/s1