2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-(phenylmethyl)-4-pyrrolidin-1-yl-2-thiophen-2-yl-butanenitrile

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-(phenylmethyl)-4-pyrrolidin-1-yl-2-thiophen-2-yl-butanenitrile Openeye Name: 2-benzyl-4-pyrrolidin-1-yl-2-(2-thienyl)butanenitrile; citric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(phenylmethyl)-4-(1-pyrrolidinyl)-2-thiophen-2-ylbutanenitrile IUPAC Name: 2-benzyl-4-pyrrolidin-1-yl-2-thiophen-2-ylbutanenitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-benzyl-4-pyrrolidino-2-(2-thienyl)butyronitrile; citric acid Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(CC2=CC=CC=C2)(C#N)C3=CC=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCC(CC2=CC=CC=C2)(C#N)C3=CC=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H22N2S.C6H8O7/c20-16-19(18-9-6-14-22-18,10-13-21-11-4-5-12-21)15-17-7-2-1-3-8-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,6-9,14H,4-5,10-13,15H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)