[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5/c1-14(2)22-21(27)24-20(26)15(3)29-19(25)13-28-18-11-9-17(10-12-18)23-16-7-5-4-6-8-16/h4-12,14-15,23H,13H2,1-3H3,(H2,22,24,26,27)/t15-/m0/s1