[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H25BrN2O5/c1-3-29-19-14-16(13-18(23)21(19)28-2)22(27)30-15-20(26)25-11-9-24(10-12-25)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3