4-(2-acetamidophenoxy)-3-methyl-2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-acetamidophenoxy)-3-methyl-2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-acetamidophenoxy)-2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]-3-methyl-4-oxo-butanoic acid CAS Name: 4-(2-acetamidophenoxy)-3-methyl-2-[[[(2-methylpropylamino)-oxomethyl]amino]-(4-phenylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2-acetamidophenoxy)-3-methyl-2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2-acetamidophenoxy)-2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]-4-keto-3-methyl-butyric acid Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C(C)C(=O)OC3=CC=CC=C3NC(=O)C)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C(C)C(=O)OC3=CC=CC=C3NC(=O)C)C(=O)O

InChI

InChI=1S/C31H35N3O6/c1-19(2)18-32-31(39)34-28(24-16-14-23(15-17-24)22-10-6-5-7-11-22)27(29(36)37)20(3)30(38)40-26-13-9-8-12-25(26)33-21(4)35/h5-17,19-20,27-28H,18H2,1-4H3,(H,33,35)(H,36,37)(H2,32,34,39)