[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(2-chloranyl-4-phenyl-phenoxy)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(2-chloranyl-4-phenyl-phenoxy)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(2-chloro-4-phenyl-phenoxy)acetate CAS Name: 2-(2-chloro-4-phenylphenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate Traditional Name: 2-(2-chloro-4-phenyl-phenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-22(14-24,17-8-9-17)25-20(26)12-29-21(27)13-28-19-10-7-16(11-18(19)23)15-5-3-2-4-6-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,25,26)/t22-/m0/s1