[1-(2-butoxy-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chloranylbenzoate

Systemtic Name: [1-(2-butoxy-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chloranylbenzoate Openeye Name: [1-(2-butoxy-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-(2-butoxy-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: [1-(2-butoxy-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-imidazol-1-ylethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-(2-butoxy-3-keto-4-methyl-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] ester Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(=O)N(C2=C(O1)C=CC(=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCOC1C(=O)N(C2=C(O1)C=CC(=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H26ClN3O5/c1-3-4-13-32-25-23(30)28(2)20-14-18(7-10-21(20)34-25)22(15-29-12-11-27-16-29)33-24(31)17-5-8-19(26)9-6-17/h5-12,14,16,22,25H,3-4,13,15H2,1-2H3