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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC(CC(=O)O)(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCC(C)C

Isomeric SMILES

CCCCOC(=O)CCC(CC(=O)O)(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCC(C)C

InChI

InChI=1S/C27H36N2O5/c1-4-5-17-34-25(32)15-16-27(18-24(30)31,29-26(33)28-19-20(2)3)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-14,20H,4-5,15-19H2,1-3H3,(H,30,31)(H2,28,29,33)