3-azanyl-6-[4-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-3-(1-naphthyloxy)propyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-3-(1-naphthoxy)propyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C29H34N4O4S MolecularWeight: 534.66966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C29H34N4O4S/c1-2-6-19-15-24(32-28-25(19)26(30)27(38-28)29(35)36)33-13-11-20(12-14-33)31-16-21(34)17-37-23-10-5-8-18-7-3-4-9-22(18)23/h3-5,7-10,15,20-21,31,34H,2,6,11-14,16-17,30H2,1H3,(H,35,36)