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

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

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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)C5=CN(C=N5)CC(=O)N)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN(C=N5)CC(=O)N)C

InChI

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