tert-butyl [3-[4-chloranyl-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[4-chloranyl-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[4-chloro-6-[[(cyclohexylamino)-oxomethyl]amino]-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C35H41ClN4O4 MolecularWeight: 617.17744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)NC(=O)NC5CCCCC5)Cl

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)NC(=O)NC5CCCCC5)Cl

InChI

InChI=1S/C35H41ClN4O4/c1-6-13-30-39-31-27(36)20-25(38-33(41)37-24-16-11-8-12-17-24)21-29(31)40(30)28-19-18-26(23-14-9-7-10-15-23)32(22(28)2)43-34(42)44-35(3,4)5/h7,9-10,14-15,18-21,24H,6,8,11-13,16-17H2,1-5H3,(H2,37,38,41)