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

Systemtic Name: methyl 2-[1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(4-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-3-4-11-25-14-7-5-13(6-8-14)18(23)20-10-9-19-17(22)15(20)12-16(21)24-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,22)