butyl 2-[(2S)-3-oxidanylidene-1-(phenylcarbamoyl)piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(phenylcarbamoyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[anilino(oxo)methyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(phenylcarbamoyl)piperazin-2-yl]acetic acid butyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4/c1-2-3-11-24-15(21)12-14-16(22)18-9-10-20(14)17(23)19-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,22)(H,19,23)/t14-/m0/s1