ethyl 1-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[1-oxo-4-[oxo-(1-phenylpropylamino)methyl]-2-phenyl-3-isoquinolinyl]methyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[[1-keto-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C40H41N3O4 MolecularWeight: 627.77124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C40H41N3O4/c1-3-34(29-16-8-5-9-17-29)41-37(44)36-32-22-14-15-23-33(32)38(45)43(31-20-12-7-13-21-31)35(36)28-42-26-24-40(25-27-42,39(46)47-4-2)30-18-10-6-11-19-30/h5-23,34H,3-4,24-28H2,1-2H3,(H,41,44)