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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC5=CC=CC=C5C=C4)O

InChI

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