pentyl 2-[3-oxidanylidene-1-(3-propan-2-yloxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[3-oxidanylidene-1-(3-propan-2-yloxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-isopropoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-(3-propan-2-yloxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(3-isopropoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC(C)C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC(C)C

InChI

InChI=1S/C21H30N2O5/c1-4-5-6-12-27-19(24)14-18-20(25)22-10-11-23(18)21(26)16-8-7-9-17(13-16)28-15(2)3/h7-9,13,15,18H,4-6,10-12,14H2,1-3H3,(H,22,25)