methyl 3-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methyl]-2-ethoxy-benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methyl]-2-ethoxy-benzimidazole-4-carboxylate Openeye Name: methyl 3-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methyl]-2-ethoxy-benzimidazole-4-carboxylate CAS Name: 3-[(5-cyano-2-benzo[b][1]benzoxepinyl)methyl]-2-ethoxy-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methyl]-2-ethoxybenzimidazole-4-carboxylate Traditional Name: 3-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methyl]-2-ethoxy-benzimidazole-4-carboxylic acid methyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=CC5=CC=CC=C5O4)C#N)C(=O)OC

Isomeric SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=CC5=CC=CC=C5O4)C#N)C(=O)OC

InChI

InChI=1S/C27H21N3O4/c1-3-33-27-29-22-9-6-8-21(26(31)32-2)25(22)30(27)16-17-11-12-20-19(15-28)14-18-7-4-5-10-23(18)34-24(20)13-17/h4-14H,3,16H2,1-2H3