N-(4-tert-butylphenyl)-5-methyl-2-[1-(2-oxidanylprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-imidazole-4-carboxamide hydrate

Systemtic Name: N-(4-tert-butylphenyl)-5-methyl-2-[1-(2-oxidanylprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-imidazole-4-carboxamide hydrate Openeye Name: N-(4-tert-butylphenyl)-2-[1-(2-hydroxyallyl)indan-5-yl]-5-methyl-1-pentyl-imidazole-4-carboxamide hydrate CAS Name: N-(4-tert-butylphenyl)-2-[1-(2-hydroxyprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-5-methyl-1-pentyl-4-imidazolecarboxamide hydrate IUPAC Name: N-(4-tert-butylphenyl)-2-[1-(2-hydroxyprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-5-methyl-1-pentylimidazole-4-carboxamide hydrate Traditional Name: 1-amyl-N-(4-tert-butylphenyl)-2-[1-(2-hydroxyallyl)indan-5-yl]-5-methyl-imidazole-4-carboxamide hydrate Formula: C32H43N3O3 MolecularWeight: 517.70212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(N=C1C2=CC3=C(C=C2)C(CC3)CC(=C)O)C(=O)NC4=CC=C(C=C4)C(C)(C)C)C.O

Isomeric SMILES

CCCCCN1C(=C(N=C1C2=CC3=C(C=C2)C(CC3)CC(=C)O)C(=O)NC4=CC=C(C=C4)C(C)(C)C)C.O

InChI

InChI=1S/C32H41N3O2.H2O/c1-7-8-9-18-35-22(3)29(31(37)33-27-15-13-26(14-16-27)32(4,5)6)34-30(35)25-12-17-28-23(19-21(2)36)10-11-24(28)20-25;/h12-17,20,23,36H,2,7-11,18-19H2,1,3-6H3,(H,33,37);1H2