[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-22(15-23,16-7-8-16)25-20(26)13-29-21(27)14-28-19-11-9-18(10-12-19)24-17-5-3-2-4-6-17/h2-6,9-12,16,24H,7-8,13-14H2,1H3,(H,25,26)/t22-/m0/s1