[1-oxidanylidene-3-[4-[(2-propylimidazol-1-yl)methyl]phenyl]inden-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [1-oxidanylidene-3-[4-[(2-propylimidazol-1-yl)methyl]phenyl]inden-2-yl] 2,2-dimethylpropanoate Openeye Name: [1-oxo-3-[4-[(2-propylimidazol-1-yl)methyl]phenyl]inden-2-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-oxo-3-[4-[(2-propyl-1-imidazolyl)methyl]phenyl]-2-indenyl] ester IUPAC Name: [1-oxo-3-[4-[(2-propylimidazol-1-yl)methyl]phenyl]inden-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-keto-3-[4-[(2-propylimidazol-1-yl)methyl]phenyl]inden-2-yl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CN1CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C43)OC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=NC=CN1CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C43)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H28N2O3/c1-5-8-22-28-15-16-29(22)17-18-11-13-19(14-12-18)23-20-9-6-7-10-21(20)24(30)25(23)32-26(31)27(2,3)4/h6-7,9-16H,5,8,17H2,1-4H3