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

Systemtic Name: 2-phenoxyethyl 2-[1-(3-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-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=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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