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

Systemtic Name: propan-2-yl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-4-5-12-26-16-8-6-15(7-9-16)20(25)22-11-10-21-19(24)17(22)13-18(23)27-14(2)3/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,21,24)/t17-/m0/s1