3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]methylideneamino]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]methylideneamino]-4-oxidanyl-benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]methyleneamino]-4-hydroxy-benzoic acid CAS Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)-4-imidazolyl]methylideneamino]-4-hydroxybenzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexylimidazol-4-yl]methylideneamino]-4-hydroxybenzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]methyleneamino]-4-hydroxy-benzoic acid Formula: C35H41N3O4 MolecularWeight: 567.71774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C=NC7=C(C=CC(=C7)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C=NC7=C(C=CC(=C7)C(=O)O)O

InChI

InChI=1S/C35H41N3O4/c39-32-12-11-28(34(40)41)16-29(32)36-20-30-31(22-42-35-17-24-13-25(18-35)15-26(14-24)19-35)38(21-23-7-3-1-4-8-23)33(37-30)27-9-5-2-6-10-27/h1,3-4,7-8,11-12,16,20,24-27,39H,2,5-6,9-10,13-15,17-19,21-22H2,(H,40,41)