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

Systemtic Name: propyl 2-[(2S)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 2-[(2S)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid propyl 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)OCCC

Isomeric SMILES

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

InChI

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