(5S,6R,7R)-5-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-[4-methoxy-2-[1-(methylamino)-1-oxidanylidene-propan-2-yl]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-[4-methoxy-2-[1-(methylamino)-1-oxidanylidene-propan-2-yl]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)-2-(isopropylamino)-7-[4-methoxy-2-[1-methyl-2-(methylamino)-2-oxo-ethyl]phenyl]-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-[4-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]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-[4-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]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)-2-(isopropylamino)-7-[2-[2-keto-1-methyl-2-(methylamino)ethyl]-4-methoxy-phenyl]-1-pyrindan-6-carboxylic acid Formula: C30H31F2N3O6 MolecularWeight: 567.580446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)C(C)C(=O)NC)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=C(C=C(C=C3)OC)C(C)C(=O)NC)C(=O)O)C4=CC5=C(C=C4)OC(O5)(F)F

InChI

InChI=1S/C30H31F2N3O6/c1-14(2)34-23-11-9-19-24(16-6-10-21-22(12-16)41-30(31,32)40-21)26(29(37)38)25(27(19)35-23)18-8-7-17(39-5)13-20(18)15(3)28(36)33-4/h6-15,24-26H,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t15?,24-,25-,26+/m0/s1