2-[4-[[2-(5-chloranyl-1-methyl-indol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(5-chloranyl-1-methyl-indol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[[2-(5-chloro-1-methyl-indol-3-yl)ethylamino]methyl]-1-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-[[2-(5-chloro-1-methyl-3-indolyl)ethylamino]methyl]-1-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[2-(5-chloro-1-methyl-indol-3-yl)ethylamino]methyl]piperidino]pyrimidine-5-carboxylic acid Formula: C22H26ClN5O2 MolecularWeight: 427.92714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Cl)CCNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Cl)CCNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C22H26ClN5O2/c1-27-14-16(19-10-18(23)2-3-20(19)27)4-7-24-11-15-5-8-28(9-6-15)22-25-12-17(13-26-22)21(29)30/h2-3,10,12-15,24H,4-9,11H2,1H3,(H,29,30)