3-methylbutyl 2-[3-oxidanylidene-1-[4-(oxolan-2-ylmethoxy)phenyl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[4-(oxolan-2-ylmethoxy)phenyl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[4-(tetrahydrofuran-2-ylmethoxy)benzoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[4-(2-oxolanylmethoxy)phenyl]methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[4-(tetrahydrofurfuryloxy)benzoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCC3CCCO3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCC3CCCO3

InChI

InChI=1S/C23H32N2O6/c1-16(2)9-13-30-21(26)14-20-22(27)24-10-11-25(20)23(28)17-5-7-18(8-6-17)31-15-19-4-3-12-29-19/h5-8,16,19-20H,3-4,9-15H2,1-2H3,(H,24,27)