4-[[4-[4-(4-fluorophenyl)-1-methyl-piperidin-4-yl]-5-oxidanylidene-2H-pyrrol-1-yl]methyl]naphthalene-2-carbonitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[[4-[4-(4-fluorophenyl)-1-methyl-piperidin-4-yl]-5-oxidanylidene-2H-pyrrol-1-yl]methyl]naphthalene-2-carbonitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-[[4-[4-(4-fluorophenyl)-1-methyl-4-piperidyl]-5-oxo-2H-pyrrol-1-yl]methyl]naphthalene-2-carbonitrile CAS Name: 4-[[4-[4-(4-fluorophenyl)-1-methyl-4-piperidinyl]-5-oxo-2H-pyrrol-1-yl]methyl]-2-naphthalenecarbonitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-[[4-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-5-oxo-2H-pyrrol-1-yl]methyl]naphthalene-2-carbonitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 4-[[3-[4-(4-fluorophenyl)-1-methyl-4-piperidyl]-2-keto-3-pyrrolin-1-yl]methyl]naphthalene-2-carbonitrile Formula: C34H34FN3O8 MolecularWeight: 631.647463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CCN(C2=O)CC3=CC(=CC4=CC=CC=C43)C#N)C5=CC=C(C=C5)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)(C2=CCN(C2=O)CC3=CC(=CC4=CC=CC=C43)C#N)C5=CC=C(C=C5)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C28H26FN3O.C6H8O7/c1-31-14-11-28(12-15-31,23-6-8-24(29)9-7-23)26-10-13-32(27(26)33)19-22-17-20(18-30)16-21-4-2-3-5-25(21)22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,16-17H,11-15,19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)