3-methylbutyl 2-[1-(4-tert-butylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(4-tert-butylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-tert-butylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-tert-butylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-tert-butylbenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N2O4/c1-15(2)10-13-28-19(25)14-18-20(26)23-11-12-24(18)21(27)16-6-8-17(9-7-16)22(3,4)5/h6-9,15,18H,10-14H2,1-5H3,(H,23,26)