3,3-diphenylpyrrolidine-2-carboxylic acid; 2-thiophen-2-ylpentanal

Systemtic Name: 3,3-diphenylpyrrolidine-2-carboxylic acid; 2-thiophen-2-ylpentanal Openeye Name: 3,3-diphenylpyrrolidine-2-carboxylic acid; 2-(2-thienyl)pentanal CAS Name: 3,3-diphenyl-2-pyrrolidinecarboxylic acid; 2-thiophen-2-ylpentanal IUPAC Name: 3,3-diphenylpyrrolidine-2-carboxylic acid; 2-thiophen-2-ylpentanal Traditional Name: 3,3-diphenylproline; 2-(2-thienyl)valeraldehyde Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)C1=CC=CS1.C1CNC(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(C=O)C1=CC=CS1.C1CNC(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H17NO2.C9H12OS/c19-16(20)15-17(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2-4-8(7-10)9-5-3-6-11-9/h1-10,15,18H,11-12H2,(H,19,20);3,5-8H,2,4H2,1H3