1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methylamino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[2-(2-cyanophenyl)-5-benzofuranyl]methylamino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methylamino]methyl]cyclopentanecarboxylic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNCC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

C1CCC(C1)(CNCC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C23H22N2O3/c24-13-17-5-1-2-6-19(17)21-12-18-11-16(7-8-20(18)28-21)14-25-15-23(22(26)27)9-3-4-10-23/h1-2,5-8,11-12,25H,3-4,9-10,14-15H2,(H,26,27)