butan-2-yl 2-[1-[2-(4-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[2-(4-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[2-(4-methylphenoxy)butanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-methylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[2-(4-methylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-methylphenoxy)butanoyl]piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=C(C=C2)C

InChI

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