1-[3-(1-tert-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctyl-urea; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 1-[3-(1-tert-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctyl-urea; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 1-[3-(1-tert-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctyl-urea; 2-hydroxy-2-phenyl-acetic acid CAS Name: 1-[3-(1-tert-butyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctylurea; 2-hydroxy-2-phenylacetic acid IUPAC Name: 1-[3-(1-tert-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctylurea; 2-hydroxy-2-phenylacetic acid Traditional Name: 1-[3-(1-tert-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-cyclooctyl-urea; madelic acid Formula: C33H47N5O4 MolecularWeight: 577.75738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)NC4CCCCCCC4.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC(C)(C)N1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)NC4CCCCCCC4.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C25H39N5O.C8H8O3/c1-25(2,3)30-15-13-18(14-16-30)20-17-26-21-11-12-22(28-23(20)21)29-24(31)27-19-9-7-5-4-6-8-10-19;9-7(8(10)11)6-4-2-1-3-5-6/h11-12,17-19,26H,4-10,13-16H2,1-3H3,(H2,27,28,29,31);1-5,7,9H,(H,10,11)