ethyl 4-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-4-[4-(2-cyanophenyl)phenyl]butanoate

Systemtic Name: ethyl 4-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-4-[4-(2-cyanophenyl)phenyl]butanoate Openeye Name: ethyl 4-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)-4-[4-(2-cyanophenyl)phenyl]butanoate CAS Name: 4-(2-butyl-4-chloro-5-formyl-1-imidazolyl)-4-[4-(2-cyanophenyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-butyl-4-chloro-5-formylimidazol-1-yl)-4-[4-(2-cyanophenyl)phenyl]butanoate Traditional Name: 4-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)-4-[4-(2-cyanophenyl)phenyl]butyric acid ethyl ester Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O3/c1-3-5-10-25-30-27(28)24(18-32)31(25)23(15-16-26(33)34-4-2)20-13-11-19(12-14-20)22-9-7-6-8-21(22)17-29/h6-9,11-14,18,23H,3-5,10,15-16H2,1-2H3