ethyl (Z)-3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-3-[4-(2-cyanophenyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (Z)-3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-3-[4-(2-cyanophenyl)phenyl]prop-2-enoate Openeye Name: ethyl (Z)-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)-3-[4-(2-cyanophenyl)phenyl]prop-2-enoate CAS Name: (Z)-3-(2-butyl-4-chloro-5-formyl-1-imidazolyl)-3-[4-(2-cyanophenyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(2-butyl-4-chloro-5-formylimidazol-1-yl)-3-[4-(2-cyanophenyl)phenyl]prop-2-enoate Traditional Name: (Z)-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)-3-[4-(2-cyanophenyl)phenyl]acrylic acid ethyl ester Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C(=CC(=O)OCC)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1/C(=C\C(=O)OCC)/C2=CC=C(C=C2)C3=CC=CC=C3C#N)C=O)Cl

InChI

InChI=1S/C26H24ClN3O3/c1-3-5-10-24-29-26(27)23(17-31)30(24)22(15-25(32)33-4-2)19-13-11-18(12-14-19)21-9-7-6-8-20(21)16-28/h6-9,11-15,17H,3-5,10H2,1-2H3/b22-15-