pentyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[3-oxo-1-[2-(2-sec-butylphenoxy)butanoyl]piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-butan-2-ylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-sec-butylphenoxy)butanoyl]piperazin-2-yl]acetic acid amyl ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=CC=C2C(C)CC

InChI

InChI=1S/C25H38N2O5/c1-5-8-11-16-31-23(28)17-20-24(29)26-14-15-27(20)25(30)21(7-3)32-22-13-10-9-12-19(22)18(4)6-2/h9-10,12-13,18,20-21H,5-8,11,14-17H2,1-4H3,(H,26,29)