[1-(4-fluorophenyl)-1-oxidanylidene-4-(4-phenylpiperazin-1-yl)butan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-4-(4-phenylpiperazin-1-yl)butan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [1-(4-fluorobenzoyl)-3-(4-phenylpiperazin-1-yl)propyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(4-fluorophenyl)-1-oxo-4-(4-phenyl-1-piperazinyl)butan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-(4-fluorobenzoyl)-3-(4-phenylpiperazino)propyl] ester Formula: C30H33FN2O6 MolecularWeight: 536.591223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H33FN2O6/c1-36-26-19-22(20-27(37-2)29(26)38-3)30(35)39-25(28(34)21-9-11-23(31)12-10-21)13-14-32-15-17-33(18-16-32)24-7-5-4-6-8-24/h4-12,19-20,25H,13-18H2,1-3H3