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

Systemtic Name: N-(3,4-dimethylphenyl)-5-methyl-2-[1-(2-oxidanylprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-imidazole-4-carboxamide hydrate Openeye Name: N-(3,4-dimethylphenyl)-2-[1-(2-hydroxyallyl)indan-5-yl]-5-methyl-1-pentyl-imidazole-4-carboxamide hydrate CAS Name: N-(3,4-dimethylphenyl)-2-[1-(2-hydroxyprop-2-enyl)-2,3-dihydro-1H-inden-5-yl]-5-methyl-1-pentyl-4-imidazolecarboxamide hydrate IUPAC Name: N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-[1-(2-hydroxyallyl)indan-5-yl]-5-methyl-imidazole-4-carboxamide hydrate Formula: C30H39N3O3 MolecularWeight: 489.64896

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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.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.O

InChI

InChI=1S/C30H37N3O2.H2O/c1-6-7-8-15-33-22(5)28(30(35)31-26-13-9-19(2)20(3)16-26)32-29(33)25-12-14-27-23(17-21(4)34)10-11-24(27)18-25;/h9,12-14,16,18,23,34H,4,6-8,10-11,15,17H2,1-3,5H3,(H,31,35);1H2