3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid CAS Name: 3-[4-[2-(9-pyrido[3,4-b]indolyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[2-($b-carbolin-9-yl)ethoxy]phenyl]propionic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CCOC4=CC=C(C=C4)CCC(=O)O)C=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CCOC4=CC=C(C=C4)CCC(=O)O)C=NC=C3

InChI

InChI=1S/C22H20N2O3/c25-22(26)10-7-16-5-8-17(9-6-16)27-14-13-24-20-4-2-1-3-18(20)19-11-12-23-15-21(19)24/h1-6,8-9,11-12,15H,7,10,13-14H2,(H,25,26)