3-phenylpropyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(5-bromo-2-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(5-bromo-2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O5/c1-30-20-10-9-17(24)14-18(20)23(29)26-12-11-25-22(28)19(26)15-21(27)31-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19H,5,8,11-13,15H2,1H3,(H,25,28)