3-phenylpropyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C28H35BrN2O5 MolecularWeight: 559.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H35BrN2O5/c1-2-3-4-8-17-35-25-14-13-22(19-23(25)29)28(34)31-16-15-30-27(33)24(31)20-26(32)36-18-9-12-21-10-6-5-7-11-21/h5-7,10-11,13-14,19,24H,2-4,8-9,12,15-18,20H2,1H3,(H,30,33)