[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H23N3O5/c1-16(2)30-19-10-8-17(9-11-19)22(28)24-14-21(27)29-15-20(26)25(13-12-23)18-6-4-3-5-7-18/h3-11,16H,13-15H2,1-2H3,(H,24,28)