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

Systemtic Name: phenethyl 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(4-heptoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-heptoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O5/c1-2-3-4-5-9-19-34-24-14-12-23(13-15-24)28(33)30-18-17-29-27(32)25(30)21-26(31)35-20-16-22-10-7-6-8-11-22/h6-8,10-15,25H,2-5,9,16-21H2,1H3,(H,29,32)