2-phenoxyethyl 2-[(2R)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[(2R)-1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@H]2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6/c1-2-3-15-31-21-11-9-19(10-12-21)25(30)27-14-13-26-24(29)22(27)18-23(28)33-17-16-32-20-7-5-4-6-8-20/h4-12,22H,2-3,13-18H2,1H3,(H,26,29)/t22-/m1/s1