[3-[6-[1-(3-azanyl-3-oxidanylidene-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[6-[1-(3-azanyl-3-oxidanylidene-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-[1-(3-amino-3-oxo-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-[1-(3-amino-3-oxopropyl)-4-imidazolyl]-2-ethyl-4-methyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-[1-(3-amino-3-oxopropyl)imidazol-4-yl]-2-ethyl-4-methylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-[1-(3-amino-3-keto-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN(C=N5)CCC(=O)N)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN(C=N5)CCC(=O)N)C

InChI

InChI=1S/C30H29N5O4/c1-4-27-33-28-18(2)14-21(23-16-34(17-32-23)13-12-26(31)36)15-25(28)35(27)24-11-10-22(20-8-6-5-7-9-20)29(19(24)3)39-30(37)38/h5-11,14-17H,4,12-13H2,1-3H3,(H2,31,36)(H,37,38)