[1-(2-acetamidophenoxy)-1-oxidanylidene-propan-2-yl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate

Systemtic Name: [1-(2-acetamidophenoxy)-1-oxidanylidene-propan-2-yl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate Openeye Name: [2-(2-acetamidophenoxy)-1-methyl-2-oxo-ethyl] 3-(isobutylcarbamoylamino)-3-(4-phenylphenyl)propanoate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid [1-(2-acetamidophenoxy)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetamidophenoxy)-1-oxopropan-2-yl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate Traditional Name: 3-(isobutylcarbamoylamino)-3-(4-phenylphenyl)propionic acid [2-(2-acetamidophenoxy)-2-keto-1-methyl-ethyl] ester Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC(=O)OC(C)C(=O)OC1=CC=CC=C1NC(=O)C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(CC(=O)OC(C)C(=O)OC1=CC=CC=C1NC(=O)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

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