(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) 4-imidazol-1-ylbenzoate hydrochloride

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) 4-imidazol-1-ylbenzoate hydrochloride Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) 4-imidazol-1-ylbenzoate hydrochloride CAS Name: 4-(1-imidazolyl)benzoic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester hydrochloride IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) 4-imidazol-1-ylbenzoate hydrochloride Traditional Name: 4-imidazol-1-ylbenzoic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester hydrochloride Formula: C27H25ClN2O5 MolecularWeight: 492.9508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4=CC=C(C=C4)N5C=CN=C5.Cl

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4=CC=C(C=C4)N5C=CN=C5.Cl

InChI

InChI=1S/C27H24N2O5.ClH/c1-17(30)32-25-22-12-13-27(2,3)34-23(22)20-6-4-5-7-21(20)24(25)33-26(31)18-8-10-19(11-9-18)29-15-14-28-16-29;/h4-11,14-16H,12-13H2,1-3H3;1H