(2S,3R)-2-(phenylmethyl)-3-(5-phenylpentyl)butanedioic acid

Systemtic Name: (2S,3R)-2-(phenylmethyl)-3-(5-phenylpentyl)butanedioic acid Openeye Name: (2S,3R)-2-benzyl-3-(5-phenylpentyl)butanedioic acid CAS Name: (2S,3R)-2-(phenylmethyl)-3-(5-phenylpentyl)butanedioic acid IUPAC Name: (2S,3R)-2-benzyl-3-(5-phenylpentyl)butanedioic acid Traditional Name: (2S,3R)-2-benzyl-3-(5-phenylpentyl)succinic acid Formula: C22H26O4 MolecularWeight: 354.43944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(C(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC[C@H]([C@H](CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C22H26O4/c23-21(24)19(15-9-3-6-12-17-10-4-1-5-11-17)20(22(25)26)16-18-13-7-2-8-14-18/h1-2,4-5,7-8,10-11,13-14,19-20H,3,6,9,12,15-16H2,(H,23,24)(H,25,26)/t19-,20+/m1/s1