[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C(=O)NC1=CC=CC=C1C#N

Isomeric SMILES

CCCCC(=O)O[C@@H](C)C(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C15H18N2O3/c1-3-4-9-14(18)20-11(2)15(19)17-13-8-6-5-7-12(13)10-16/h5-8,11H,3-4,9H2,1-2H3,(H,17,19)/t11-/m0/s1