cyclohexyl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3

InChI

InChI=1S/C23H32N2O5/c1-2-3-15-29-18-11-9-17(10-12-18)23(28)25-14-13-24-22(27)20(25)16-21(26)30-19-7-5-4-6-8-19/h9-12,19-20H,2-8,13-16H2,1H3,(H,24,27)/t20-/m0/s1