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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O5/c1-2-3-4-10-19-34-25-16-9-8-15-23(25)28(33)30-18-17-29-27(32)24(30)21-26(31)35-20-11-14-22-12-6-5-7-13-22/h5-9,12-13,15-16,24H,2-4,10-11,14,17-21H2,1H3,(H,29,32)