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

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-methylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-methylphenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-methylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-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=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

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