[1-(4-cyanophenoxy)-3-[3-(cyclopropylmethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid

Systemtic Name: [1-(4-cyanophenoxy)-3-[3-(cyclopropylmethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-[3-(cyclopropylmethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid CAS Name: [1-(4-cyanophenoxy)-3-[3-[(cyclopropylmethylamino)-oxomethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid IUPAC Name: [1-(4-cyanophenoxy)-3-[3-(cyclopropylmethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Traditional Name: [1-[(4-cyanophenoxy)methyl]-2-[3-(cyclopropylmethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid Formula: C22H29N5O4 MolecularWeight: 427.49676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)N2CC3CCC(C2)N3CC(COC4=CC=C(C=C4)C#N)NC(=O)O

Isomeric SMILES

C1CC1CNC(=O)N2CC3CCC(C2)N3CC(COC4=CC=C(C=C4)C#N)NC(=O)O

InChI

InChI=1S/C22H29N5O4/c23-9-15-3-7-20(8-4-15)31-14-17(25-22(29)30)11-27-18-5-6-19(27)13-26(12-18)21(28)24-10-16-1-2-16/h3-4,7-8,16-19,25H,1-2,5-6,10-14H2,(H,24,28)(H,29,30)