3-methylbutyl 2-[1-[2-(3-methylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

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