(2S)-1-[2-azanylidene-3-[(4-tert-butylphenyl)methyl]benzimidazol-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[2-azanylidene-3-[(4-tert-butylphenyl)methyl]benzimidazol-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[3-[(4-tert-butylphenyl)methyl]-2-imino-benzimidazol-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[3-[(4-tert-butylphenyl)methyl]-2-imino-1-benzimidazolyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[3-(4-tert-butylbenzyl)-2-imino-benzimidazol-1-yl]-3-phenoxy-propan-2-ol Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)21-15-13-20(14-16-21)17-29-24-11-7-8-12-25(24)30(26(29)28)18-22(31)19-32-23-9-5-4-6-10-23/h4-16,22,28,31H,17-19H2,1-3H3/t22-/m0/s1