4-[2-azanyl-3-chloranyl-4-[[(1R,2S)-2-fluoranylcyclopropyl]carbamoyl]phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[2-azanyl-3-chloranyl-4-[[(1R,2S)-2-fluoranylcyclopropyl]carbamoyl]phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[2-amino-3-chloro-4-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[2-amino-3-chloro-4-[[[(1R,2S)-2-fluorocyclopropyl]amino]-oxomethyl]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[2-amino-3-chloro-4-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]phenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[2-amino-3-chloro-4-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C21H18ClFN4O4 MolecularWeight: 444.843423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=C(C(=C(C=C3)C(=O)NC4CC4F)Cl)N

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=C(C(=C(C=C3)C(=O)N[C@@H]4C[C@@H]4F)Cl)N

InChI

InChI=1S/C21H18ClFN4O4/c1-30-17-8-13-10(6-11(17)20(25)28)15(4-5-26-13)31-16-3-2-9(18(22)19(16)24)21(29)27-14-7-12(14)23/h2-6,8,12,14H,7,24H2,1H3,(H2,25,28)(H,27,29)/t12-,14+/m0/s1