ethyl 2-[5,5-dimethyl-3,6-bis(oxidanylidene)-1-(3-phenylpropyl)piperazin-2-yl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[5,5-dimethyl-3,6-bis(oxidanylidene)-1-(3-phenylpropyl)piperazin-2-yl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[5,5-dimethyl-3,6-dioxo-1-(3-phenylpropyl)piperazin-2-yl]cyclopropanecarboxylate CAS Name: 2-[5,5-dimethyl-3,6-dioxo-1-(3-phenylpropyl)-2-piperazinyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5,5-dimethyl-3,6-dioxo-1-(3-phenylpropyl)piperazin-2-yl]cyclopropane-1-carboxylate Traditional Name: 2-[3,6-diketo-5,5-dimethyl-1-(3-phenylpropyl)piperazin-2-yl]cyclopropanecarboxylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C2C(=O)NC(C(=O)N2CCCC3=CC=CC=C3)(C)C

Isomeric SMILES

CCOC(=O)C1CC1C2C(=O)NC(C(=O)N2CCCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H28N2O4/c1-4-27-19(25)16-13-15(16)17-18(24)22-21(2,3)20(26)23(17)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15-17H,4,8,11-13H2,1-3H3,(H,22,24)