[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNC(=O)C2=CC=CC=C2OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H21N3O5/c1-14(20(26)24-17-9-5-3-7-15(17)13-22)29-19(25)11-12-23-21(27)16-8-4-6-10-18(16)28-2/h3-10,14H,11-12H2,1-2H3,(H,23,27)(H,24,26)/t14-/m0/s1