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

Systemtic Name: 3-phenylpropyl 2-[1-(3-bromanyl-4-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3-bromo-4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H27BrN2O5/c1-2-31-21-11-10-18(15-19(21)25)24(30)27-13-12-26-23(29)20(27)16-22(28)32-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,20H,2,6,9,12-14,16H2,1H3,(H,26,29)