butane; 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: butane; 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: 2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxo-propanoate; butane CAS Name: butane; 3-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]oxy]-2-methyl-3-oxo-2-(phenylmethyl)propanoate IUPAC Name: 2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxopropanoate; butane Traditional Name: 2-benzyl-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]oxy-3-keto-2-methyl-propionate; n-butane Formula: C29H36ClN2O4- MolecularWeight: 512.06014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCC.CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C25H27ClN2O4.C4H10/c1-3-4-14-21-27-16-22(28(21)17-19-12-8-9-13-20(19)26)32-24(31)25(2,23(29)30)15-18-10-6-5-7-11-18;1-3-4-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,29,30);3-4H2,1-2H3/p-1