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

Systemtic Name: ethyl 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(4-heptoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-heptoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC

InChI

InChI=1S/C22H32N2O5/c1-3-5-6-7-8-15-29-18-11-9-17(10-12-18)22(27)24-14-13-23-21(26)19(24)16-20(25)28-4-2/h9-12,19H,3-8,13-16H2,1-2H3,(H,23,26)