2-[(2S)-2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate

Systemtic Name: 2-[(2S)-2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate Openeye Name: 2-[(2S)-2-(2-butoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbonyl]benzoate CAS Name: 2-[[(2S)-2-(2-butoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 2-[(2S)-2-(2-butoxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]benzoate Traditional Name: 2-[(2S)-2-(2-butoxy-2-keto-ethyl)-3-keto-piperazine-1-carbonyl]benzoate Formula: C18H21N2O6- MolecularWeight: 361.36914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C18H22N2O6/c1-2-3-10-26-15(21)11-14-16(22)19-8-9-20(14)17(23)12-6-4-5-7-13(12)18(24)25/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)(H,24,25)/p-1/t14-/m0/s1