3-methylbutyl 2-[1-[2-(3-ethylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(3-ethylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(3-ethylphenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(3-ethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(3-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(3-ethylphenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C21H30N2O5/c1-4-16-6-5-7-17(12-16)28-14-19(24)23-10-9-22-21(26)18(23)13-20(25)27-11-8-15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3,(H,22,26)