2-(1-benzofuran-2-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylic acid Openeye Name: 2-(benzofuran-2-ylmethyl)-4-benzyl-piperazine-1-carboxylic acid CAS Name: 2-(2-benzofuranylmethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine-1-carboxylic acid Traditional Name: 2-(benzofuran-2-ylmethyl)-4-benzyl-piperazine-1-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)CC3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)CC3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C21H22N2O3/c24-21(25)23-11-10-22(14-16-6-2-1-3-7-16)15-18(23)13-19-12-17-8-4-5-9-20(17)26-19/h1-9,12,18H,10-11,13-15H2,(H,24,25)