3-methylbutyl 2-[1-(3-ethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(3-ethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-ethoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-ethoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C20H28N2O5/c1-4-26-16-7-5-6-15(12-16)20(25)22-10-9-21-19(24)17(22)13-18(23)27-11-8-14(2)3/h5-7,12,14,17H,4,8-11,13H2,1-3H3,(H,21,24)