methyl 5-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-yl-pentanoate

Systemtic Name: methyl 5-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-yl-pentanoate Openeye Name: methyl 5-[4-[(4-fluorophenyl)methylene]-1-piperidyl]-2-isopropyl-2-(4-methoxyphenyl)pentanoate CAS Name: 5-[4-[(4-fluorophenyl)methylidene]-1-piperidinyl]-2-(4-methoxyphenyl)-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 5-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-ylpentanoate Traditional Name: 5-[4-(4-fluorobenzylidene)piperidino]-2-isopropyl-2-(4-methoxyphenyl)valeric acid methyl ester Formula: C28H36FNO3 MolecularWeight: 453.588743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(=CC2=CC=C(C=C2)F)CC1)(C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN1CCC(=CC2=CC=C(C=C2)F)CC1)(C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C28H36FNO3/c1-21(2)28(27(31)33-4,24-8-12-26(32-3)13-9-24)16-5-17-30-18-14-23(15-19-30)20-22-6-10-25(29)11-7-22/h6-13,20-21H,5,14-19H2,1-4H3