1-methyl-3-[(pyridin-3-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[(pyridin-3-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[(3-pyridylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[(3-pyridinylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[(pyridin-3-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-methyl-3-[(3-pyridylmethylamino)methyl]indole-2-carboxylic acid Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCC3=CN=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCC3=CN=CC=C3

InChI

InChI=1S/C17H17N3O2/c1-20-15-7-3-2-6-13(15)14(16(20)17(21)22)11-19-10-12-5-4-8-18-9-12/h2-9,19H,10-11H2,1H3,(H,21,22)