ethyl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC

InChI

InChI=1S/C19H26N2O5/c1-3-5-12-26-15-8-6-14(7-9-15)19(24)21-11-10-20-18(23)16(21)13-17(22)25-4-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)/t16-/m0/s1