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

Systemtic Name: pentyl 2-[3-oxidanylidene-1-(4-propan-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate Traditional Name: 2-(1-cumoyl-3-keto-piperazin-2-yl)acetic acid amyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-4-5-6-13-27-19(24)14-18-20(25)22-11-12-23(18)21(26)17-9-7-16(8-10-17)15(2)3/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,22,25)