ethyl 4-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-fluoranyl-benzoate

Systemtic Name: ethyl 4-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-fluoranyl-benzoate Openeye Name: ethyl 4-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-fluoro-benzoate CAS Name: 4-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-fluorobenzoate Traditional Name: 4-[4-(3,3-diphenylpropyl)piperazino]-3-fluoro-benzoic acid ethyl ester Formula: C28H31FN2O2 MolecularWeight: 446.556343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C28H31FN2O2/c1-2-33-28(32)24-13-14-27(26(29)21-24)31-19-17-30(18-20-31)16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,21,25H,2,15-20H2,1H3