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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-22(15-23,18-9-10-18)24-20(25)14-28-21(26)17-7-11-19(12-8-17)27-13-16-5-3-2-4-6-16/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,24,25)/t22-/m0/s1