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

Systemtic Name: [3-[4-chloranyl-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[4-chloro-6-[[(cyclohexylamino)-oxomethyl]amino]-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[4-chloro-6-(cyclohexylcarbamoylamino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C31H33ClN4O4 MolecularWeight: 561.07112

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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)O)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)O)C)NC(=O)NC5CCCCC5)Cl

InChI

InChI=1S/C31H33ClN4O4/c1-3-10-27-35-28-24(32)17-22(34-30(37)33-21-13-8-5-9-14-21)18-26(28)36(27)25-16-15-23(20-11-6-4-7-12-20)29(19(25)2)40-31(38)39/h4,6-7,11-12,15-18,21H,3,5,8-10,13-14H2,1-2H3,(H,38,39)(H2,33,34,37)