(1-ethyl-8-isocyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl)-methyl-borinic acid

Systemtic Name: (1-ethyl-8-isocyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl)-methyl-borinic acid Openeye Name: (5-benzyloxy-1-ethyl-8-isocyano-1,2-dihydrobenzo[e]indol-3-yl)-methyl-borinic acid CAS Name: (1-ethyl-8-isocyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl)-methylborinic acid IUPAC Name: (1-ethyl-8-isocyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl)-methylborinic acid Traditional Name: (5-benzoxy-1-ethyl-8-isocyano-1,2-dihydrobenz[e]indol-3-yl)-methyl-borinic acid Formula: C23H23BN2O2 MolecularWeight: 370.25192

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)[N+]#[C-])CC)O

Isomeric SMILES

B(C)(N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)[N+]#[C-])CC)O

InChI

InChI=1S/C23H23BN2O2/c1-4-17-14-26(24(2)27)21-13-22(28-15-16-8-6-5-7-9-16)19-11-10-18(25-3)12-20(19)23(17)21/h5-13,17,27H,4,14-15H2,1-2H3