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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-4-5-12-28-18-8-6-7-17(14-18)22(27)24-11-10-23-21(26)19(24)15-20(25)29-13-9-16(2)3/h6-8,14,16,19H,4-5,9-13,15H2,1-3H3,(H,23,26)