(1S,2S)-2-methoxycarbonyl-2-[4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-methoxycarbonyl-2-[4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-methoxycarbonyl-2-[4-[[2-(4-pyridyl)-4-quinolyl]methoxy]phenyl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-methoxycarbonyl-2-[4-[(2-pyridin-4-yl-4-quinolinyl)methoxy]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-methoxycarbonyl-2-[4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-carbomethoxy-2-[4-[[2-(4-pyridyl)-4-quinolyl]methoxy]phenyl]cyclopropanecarboxylic acid Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1C(=O)O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

COC(=O)[C@]1(C[C@@H]1C(=O)O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H22N2O5/c1-33-26(32)27(15-22(27)25(30)31)19-6-8-20(9-7-19)34-16-18-14-24(17-10-12-28-13-11-17)29-23-5-3-2-4-21(18)23/h2-14,22H,15-16H2,1H3,(H,30,31)/t22-,27-/m1/s1