[(1R,2R)-2-[(4-phenylmethoxyphenyl)carbonylamino]cyclopentyl] 4-(2-acetamido-6-phenylmethoxy-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoate

Systemtic Name: [(1R,2R)-2-[(4-phenylmethoxyphenyl)carbonylamino]cyclopentyl] 4-(2-acetamido-6-phenylmethoxy-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoate Openeye Name: [(1R,2R)-2-[(4-benzyloxybenzoyl)amino]cyclopentyl] 4-(2-acetamido-6-benzyloxy-benzoyl)-3,5-dibenzyloxy-benzoate CAS Name: 4-[(2-acetamido-6-phenylmethoxyphenyl)-oxomethyl]-3,5-bis(phenylmethoxy)benzoic acid [(1R,2R)-2-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]cyclopentyl] ester IUPAC Name: [(1R,2R)-2-[(4-phenylmethoxybenzoyl)amino]cyclopentyl] 4-(2-acetamido-6-phenylmethoxybenzoyl)-3,5-bis(phenylmethoxy)benzoate Traditional Name: 4-(2-acetamido-6-benzoxy-benzoyl)-3,5-dibenzoxy-benzoic acid [(1R,2R)-2-[(4-benzoxybenzoyl)amino]cyclopentyl] ester Formula: C56H50N2O9 MolecularWeight: 895.0042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OC5CCCC5NC(=O)C6=CC=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

CC(=O)NC1=C(C(=CC=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)O[C@@H]5CCC[C@H]5NC(=O)C6=CC=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C56H50N2O9/c1-38(59)57-47-25-15-27-49(64-35-40-18-8-3-9-19-40)52(47)54(60)53-50(65-36-41-20-10-4-11-21-41)32-44(33-51(53)66-37-42-22-12-5-13-23-42)56(62)67-48-26-14-24-46(48)58-55(61)43-28-30-45(31-29-43)63-34-39-16-6-2-7-17-39/h2-13,15-23,25,27-33,46,48H,14,24,26,34-37H2,1H3,(H,57,59)(H,58,61)/t46-,48-/m1/s1