3-methylbutyl 2-[3-oxidanylidene-1-(4-propan-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(4-propan-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-isopropylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-propan-2-ylphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate Traditional Name: 2-(1-cumoyl-3-keto-piperazin-2-yl)acetic acid isoamyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-14(2)9-12-27-19(24)13-18-20(25)22-10-11-23(18)21(26)17-7-5-16(6-8-17)15(3)4/h5-8,14-15,18H,9-13H2,1-4H3,(H,22,25)