methyl 3-[4-cyclohexyl-3,6-bis(oxidanylidene)-1-(phenylmethyl)piperazin-2-yl]propanoate

Systemtic Name: methyl 3-[4-cyclohexyl-3,6-bis(oxidanylidene)-1-(phenylmethyl)piperazin-2-yl]propanoate Openeye Name: methyl 3-(1-benzyl-4-cyclohexyl-3,6-dioxo-piperazin-2-yl)propanoate CAS Name: 3-[4-cyclohexyl-3,6-dioxo-1-(phenylmethyl)-2-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-4-cyclohexyl-3,6-dioxopiperazin-2-yl)propanoate Traditional Name: 3-(1-benzyl-4-cyclohexyl-3,6-diketo-piperazin-2-yl)propionic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C(=O)N(CC(=O)N1CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

COC(=O)CCC1C(=O)N(CC(=O)N1CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H28N2O4/c1-27-20(25)13-12-18-21(26)22(17-10-6-3-7-11-17)15-19(24)23(18)14-16-8-4-2-5-9-16/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3