4-[2-azanyl-3-chloranyl-4-(cyclopropylamino)-5-methanoyl-phenoxy]-7-[(2R)-2-oxidanyl-3-pyrrolidin-1-yl-propoxy]quinoline-6-carboxamide

Systemtic Name: 4-[2-azanyl-3-chloranyl-4-(cyclopropylamino)-5-methanoyl-phenoxy]-7-[(2R)-2-oxidanyl-3-pyrrolidin-1-yl-propoxy]quinoline-6-carboxamide Openeye Name: 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formyl-phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-yl-propoxy]quinoline-6-carboxamide CAS Name: 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-6-quinolinecarboxamide IUPAC Name: 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]quinoline-6-carboxamide Traditional Name: 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formyl-phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidino-propoxy]quinoline-6-carboxamide Formula: C27H30ClN5O5 MolecularWeight: 540.0106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(COC2=CC3=NC=CC(=C3C=C2C(=O)N)OC4=C(C(=C(C(=C4)C=O)NC5CC5)Cl)N)O

Isomeric SMILES

C1CCN(C1)C[C@H](COC2=CC3=NC=CC(=C3C=C2C(=O)N)OC4=C(C(=C(C(=C4)C=O)NC5CC5)Cl)N)O

InChI

InChI=1S/C27H30ClN5O5/c28-24-25(29)23(9-15(13-34)26(24)32-16-3-4-16)38-21-5-6-31-20-11-22(19(27(30)36)10-18(20)21)37-14-17(35)12-33-7-1-2-8-33/h5-6,9-11,13,16-17,32,35H,1-4,7-8,12,14,29H2,(H2,30,36)/t17-/m1/s1