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

Systemtic Name: 4-[2-azanyl-3-chloranyl-4-(ethylamino)-5-methanoyl-phenoxy]-N-methyl-7-[(2R)-2-oxidanyl-3-pyrrolidin-1-yl-propoxy]quinoline-6-carboxamide Openeye Name: 4-[2-amino-3-chloro-4-(ethylamino)-5-formyl-phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-yl-propoxy]-N-methyl-quinoline-6-carboxamide CAS Name: 4-[2-amino-3-chloro-4-(ethylamino)-5-formylphenoxy]-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl-6-quinolinecarboxamide IUPAC Name: 4-[2-amino-3-chloro-4-(ethylamino)-5-formylphenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-N-methylquinoline-6-carboxamide Traditional Name: 4-[2-amino-3-chloro-4-(ethylamino)-5-formyl-phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidino-propoxy]-N-methyl-quinoline-6-carboxamide Formula: C27H32ClN5O5 MolecularWeight: 542.02648

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(C=C1C=O)OC2=C3C=C(C(=CC3=NC=C2)OCC(CN4CCCC4)O)C(=O)NC)N)Cl

Isomeric SMILES

CCNC1=C(C(=C(C=C1C=O)OC2=C3C=C(C(=CC3=NC=C2)OC[C@@H](CN4CCCC4)O)C(=O)NC)N)Cl

InChI

InChI=1S/C27H32ClN5O5/c1-3-31-26-16(14-34)10-23(25(29)24(26)28)38-21-6-7-32-20-12-22(19(11-18(20)21)27(36)30-2)37-15-17(35)13-33-8-4-5-9-33/h6-7,10-12,14,17,31,35H,3-5,8-9,13,15,29H2,1-2H3,(H,30,36)/t17-/m1/s1