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

Systemtic Name: pentyl 2-[1-(3-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCCC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCCC

InChI

InChI=1S/C22H32N2O5/c1-3-5-7-14-29-20(25)16-19-21(26)23-11-12-24(19)22(27)17-9-8-10-18(15-17)28-13-6-4-2/h8-10,15,19H,3-7,11-14,16H2,1-2H3,(H,23,26)