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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]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-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-23(15-24,17-9-10-17)26-20(27)14-30-21(28)13-25-22(29)16-7-11-19(12-8-16)31-18-5-3-2-4-6-18/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,25,29)(H,26,27)/t23-/m0/s1