[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H25N3O5/c1-3-4-13-30-20-11-7-18(8-12-20)23(29)25-15-21(27)31-16(2)22(28)26-19-9-5-17(14-24)6-10-19/h5-12,16H,3-4,13,15H2,1-2H3,(H,25,29)(H,26,28)/t16-/m1/s1