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

Systemtic Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methylamino]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[[2-(2-cyanophenyl)-5-benzofuranyl]methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methylamino]methyl]cyclohexanecarboxylic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNCC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CNCC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C24H24N2O3/c25-14-18-6-2-3-7-20(18)22-13-19-12-17(8-9-21(19)29-22)15-26-16-24(23(27)28)10-4-1-5-11-24/h2-3,6-9,12-13,26H,1,4-5,10-11,15-16H2,(H,27,28)