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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(4-propan-2-yloxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-isopropoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-propan-2-yloxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-isopropoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-14(2)9-12-27-19(24)13-18-20(25)22-10-11-23(18)21(26)16-5-7-17(8-6-16)28-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3,(H,22,25)