propyl 2-[1-(3-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC

InChI

InChI=1S/C20H28N2O5/c1-3-5-12-26-16-8-6-7-15(13-16)20(25)22-10-9-21-19(24)17(22)14-18(23)27-11-4-2/h6-8,13,17H,3-5,9-12,14H2,1-2H3,(H,21,24)