[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C22H23N3O4/c1-3-25(4-2)21(27)20(16-8-6-5-7-9-16)29-22(28)17-10-12-18(13-11-17)24-19(26)14-15-23/h5-13,20H,3-4,14H2,1-2H3,(H,24,26)/t20-/m0/s1