ethyl 4-[2-phenylmethoxycarbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-phenylmethoxycarbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-benzyloxycarbonyl-4-[(4-benzyloxyquinoline-2-carbonyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]-2-phenylmethoxycarbonylbutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-phenylmethoxycarbonyl-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-benzoxyquinoline-2-carbonyl)amino]-2-carbobenzoxy-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C36H38N4O7 MolecularWeight: 638.70952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H38N4O7/c1-2-45-36(44)40-21-19-39(20-22-40)34(42)29(35(43)47-25-27-13-7-4-8-14-27)17-18-37-33(41)31-23-32(28-15-9-10-16-30(28)38-31)46-24-26-11-5-3-6-12-26/h3-16,23,29H,2,17-22,24-25H2,1H3,(H,37,41)