[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)/C#N

InChI

InChI=1S/C30H31N3O3/c1-17-6-24-25(7-18(17)2)33-28(32-24)23(16-31)11-19-4-5-26(27(12-19)35-3)36-29(34)30-13-20-8-21(14-30)10-22(9-20)15-30/h4-7,11-12,20-22H,8-10,13-15H2,1-3H3,(H,32,33)/b23-11+