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

Systemtic Name: 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[2-(9-pyrido[3,4-b]indolyl)ethoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[2-($b-carbolin-9-yl)ethoxy]benzyl]malonic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5/c26-22(27)19(23(28)29)13-15-5-7-16(8-6-15)30-12-11-25-20-4-2-1-3-17(20)18-9-10-24-14-21(18)25/h1-10,14,19H,11-13H2,(H,26,27)(H,28,29)