[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C(=O)NC1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CCCCC(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C16H21NO4/c1-4-5-6-15(19)21-12(3)16(20)17-14-9-7-13(8-10-14)11(2)18/h7-10,12H,4-6H2,1-3H3,(H,17,20)/t12-/m1/s1