[4-[3-bromanyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyano-phenyl] propanoate

Systemtic Name: [4-[3-bromanyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyano-phenyl] propanoate Openeye Name: [4-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyano-phenyl] propanoate CAS Name: propanoic acid [4-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyanophenyl] ester IUPAC Name: [4-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-2,3-dicyanophenyl] propanoate Traditional Name: propionic acid [4-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)-3-bromo-phenyl]-2,3-dicyano-phenyl] ester Formula: C30H33BrN2O2 MolecularWeight: 533.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C=C3)C4=C(C(=C(C=C4)OC(=O)CC)C#N)C#N)Br

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C=C3)C4=C(C(=C(C=C4)OC(=O)CC)C#N)C#N)Br

InChI

InChI=1S/C30H33BrN2O2/c1-3-5-6-11-29-12-15-30(16-13-29,17-14-29)25-9-7-21(18-26(25)31)22-8-10-27(35-28(34)4-2)24(20-33)23(22)19-32/h7-10,18H,3-6,11-17H2,1-2H3