[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4/c1-16(21(26)24(2)14-6-13-22)28-20(25)15-27-19-11-9-18(10-12-19)23-17-7-4-3-5-8-17/h3-5,7-12,16,23H,6,14-15H2,1-2H3/t16-/m1/s1