[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H21N3O5/c1-3-28-18-9-7-16(8-10-18)21(27)23-13-19(25)29-14(2)20(26)24-17-6-4-5-15(11-17)12-22/h4-11,14H,3,13H2,1-2H3,(H,23,27)(H,24,26)/t14-/m1/s1