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

Systemtic Name: 2-phenoxyethyl 2-[1-(2-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-(2-hexoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-(2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-hexoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O6/c1-2-3-4-10-17-34-24-14-9-8-13-22(24)27(32)29-16-15-28-26(31)23(29)20-25(30)35-19-18-33-21-11-6-5-7-12-21/h5-9,11-14,23H,2-4,10,15-20H2,1H3,(H,28,31)