(5S,6R,7R)-5-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-[2-(2-methyl-3-oxidanyl-propoxy)phenyl]-2-(propan-2-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

Systemtic Name: (5S,6R,7R)-5-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-[2-(2-methyl-3-oxidanyl-propoxy)phenyl]-2-(propan-2-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid Openeye Name: (5S,6R,7R)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-7-[2-(3-hydroxy-2-methyl-propoxy)phenyl]-2-(isopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid CAS Name: (5S,6R,7R)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-7-[2-(3-hydroxy-2-methylpropoxy)phenyl]-2-(propan-2-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid IUPAC Name: (5S,6R,7R)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-7-[2-(3-hydroxy-2-methylpropoxy)phenyl]-2-(propan-2-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid Traditional Name: (5S,6R,7R)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-7-[2-(3-hydroxy-2-methyl-propoxy)phenyl]-2-(isopropylamino)-1-pyrindan-6-carboxylic acid Formula: C29H30F2N2O6 MolecularWeight: 540.555106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C=C1)C(C(C2C3=CC=CC=C3OCC(C)CO)C(=O)O)C4=CC5=C(C=C4)OC(O5)(F)F

Isomeric SMILES

CC(C)NC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=CC=CC=C3OCC(C)CO)C(=O)O)C4=CC5=C(C=C4)OC(O5)(F)F

InChI

InChI=1S/C29H30F2N2O6/c1-15(2)32-23-11-9-19-24(17-8-10-21-22(12-17)39-29(30,31)38-21)26(28(35)36)25(27(19)33-23)18-6-4-5-7-20(18)37-14-16(3)13-34/h4-12,15-16,24-26,34H,13-14H2,1-3H3,(H,32,33)(H,35,36)/t16?,24-,25-,26+/m0/s1