[2-[[2-butyl-6-[[3-(cyclohexylamino)-3-oxidanylidene-propyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-[[3-(cyclohexylamino)-3-oxidanylidene-propyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-[[3-(cyclohexylamino)-3-oxo-propyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[[3-(cyclohexylamino)-3-oxopropyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-[[3-(cyclohexylamino)-3-oxopropyl]amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-[[3-(cyclohexylamino)-3-keto-propyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C34H40N4O4 MolecularWeight: 568.7058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCCC(=O)NC5CCCCC5

InChI

InChI=1S/C34H40N4O4/c1-2-3-17-31-37-29-19-18-27(35-21-20-32(39)36-26-14-8-5-9-15-26)22-30(29)38(31)23-25-13-10-16-28(33(25)42-34(40)41)24-11-6-4-7-12-24/h4,6-7,10-13,16,18-19,22,26,35H,2-3,5,8-9,14-15,17,20-21,23H2,1H3,(H,36,39)(H,40,41)