[2-[[2-butyl-6-[(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-[(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[6-(benzylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-(benzylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[6-(benzylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C32H31N3O3 MolecularWeight: 505.60684

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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)NCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCC5=CC=CC=C5

InChI

InChI=1S/C32H31N3O3/c1-2-3-17-30-34-28-19-18-26(33-21-23-11-6-4-7-12-23)20-29(28)35(30)22-25-15-10-16-27(31(25)38-32(36)37)24-13-8-5-9-14-24/h4-16,18-20,33H,2-3,17,21-22H2,1H3,(H,36,37)