[3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl] 2-methyl-2-(thiophen-2-ylmethyl)hexanoate

Systemtic Name: [3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl] 2-methyl-2-(thiophen-2-ylmethyl)hexanoate Openeye Name: [3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl] 2-methyl-2-(2-thienylmethyl)hexanoate CAS Name: 2-methyl-2-(thiophen-2-ylmethyl)hexanoic acid [3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl] ester IUPAC Name: [3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl] 2-methyl-2-(thiophen-2-ylmethyl)hexanoate Traditional Name: 2-methyl-2-(2-thenyl)hexanoic acid [1-(4-cyanobenzyl)-4-imidazolin-4-yl] ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC1=CC=CS1)C(=O)OC2=CN(CN2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC(C)(CC1=CC=CS1)C(=O)OC2=CN(CN2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2S/c1-3-4-11-23(2,13-20-6-5-12-29-20)22(27)28-21-16-26(17-25-21)15-19-9-7-18(14-24)8-10-19/h5-10,12,16,25H,3-4,11,13,15,17H2,1-2H3