2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-[4-oxidanyl-3,5-di(propan-2-yloxy)phenyl]ethanone

Systemtic Name: 2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-[4-oxidanyl-3,5-di(propan-2-yloxy)phenyl]ethanone Openeye Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-1-(4-hydroxy-3,5-diisopropoxy-phenyl)ethanone CAS Name: 1-[4-hydroxy-3,5-di(propan-2-yloxy)phenyl]-2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]ethanone IUPAC Name: 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-[4-hydroxy-3,5-di(propan-2-yloxy)phenyl]ethanone Traditional Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-1-(4-hydroxy-3,5-diisopropoxy-phenyl)ethanone Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1O)OC(C)C)C(=O)CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1O)OC(C)C)C(=O)CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-18(2)34-25-14-21(15-26(27(25)33)35-19(3)4)24(32)17-31-23-13-9-8-12-22(23)30(28(31)29)16-20-10-6-5-7-11-20/h5-15,18-19,29,33H,16-17H2,1-4H3