2-[5-[3-[(4-cyanophenyl)amino]propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid

Systemtic Name: 2-[5-[3-[(4-cyanophenyl)amino]propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid Openeye Name: 2-[5-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid CAS Name: 2-[5-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid IUPAC Name: 2-[5-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid Traditional Name: 2-[5-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethylcarbamic acid Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)(CN1)CCCNC3=CC=C(C=C3)C#N)CCNC(=O)O

Isomeric SMILES

C1C2CN(CC(O2)(CN1)CCCNC3=CC=C(C=C3)C#N)CCNC(=O)O

InChI

InChI=1S/C19H27N5O3/c20-10-15-2-4-16(5-3-15)22-7-1-6-19-13-21-11-17(27-19)12-24(14-19)9-8-23-18(25)26/h2-5,17,21-23H,1,6-9,11-14H2,(H,25,26)