pentyl 2-[1-[2-(2,3-dimethylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC(=C2C)C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC(=C2C)C

InChI

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