6-(2-methylpropoxy)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-3-(4-phenylphenyl)hexanoic acid

Systemtic Name: 6-(2-methylpropoxy)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-3-(4-phenylphenyl)hexanoic acid Openeye Name: 6-isobutoxy-3-(isobutylcarbamoylamino)-6-oxo-3-(4-phenylphenyl)hexanoic acid CAS Name: 6-(2-methylpropoxy)-3-[[(2-methylpropylamino)-oxomethyl]amino]-6-oxo-3-(4-phenylphenyl)hexanoic acid IUPAC Name: 6-(2-methylpropoxy)-3-(2-methylpropylcarbamoylamino)-6-oxo-3-(4-phenylphenyl)hexanoic acid Traditional Name: 6-isobutoxy-3-(isobutylcarbamoylamino)-6-keto-3-(4-phenylphenyl)hexanoic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)OCC(C)C)(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)OCC(C)C)(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H36N2O5/c1-19(2)17-28-26(33)29-27(16-24(30)31,15-14-25(32)34-18-20(3)4)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-13,19-20H,14-18H2,1-4H3,(H,30,31)(H2,28,29,33)