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

Systemtic Name: 3-azanyl-6-[4-[(2-naphthalen-1-yl-2-oxidanyl-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-2-(1-naphthyl)ethyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-2-(1-naphthalenyl)ethyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-2-(1-naphthyl)ethyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C28H32N4O3S MolecularWeight: 504.64368

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(C4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C28H32N4O3S/c1-2-6-18-15-23(31-27-24(18)25(29)26(36-27)28(34)35)32-13-11-19(12-14-32)30-16-22(33)21-10-5-8-17-7-3-4-9-20(17)21/h3-5,7-10,15,19,22,30,33H,2,6,11-14,16,29H2,1H3,(H,34,35)