[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-21(14-22,16-10-11-16)23-19(24)13-26-20(25)15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-9,12,16H,10-11,13H2,1H3,(H,23,24)/t21-/m0/s1