phenethyl 2-[1-(4-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(4-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(4-hexoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-hexoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5/c1-2-3-4-8-18-33-23-13-11-22(12-14-23)27(32)29-17-16-28-26(31)24(29)20-25(30)34-19-15-21-9-6-5-7-10-21/h5-7,9-14,24H,2-4,8,15-20H2,1H3,(H,28,31)