4-[3-chloranyl-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-oxidanyl-propoxy]-N-ethyl-quinoline-6-carboxamide

Systemtic Name: 4-[3-chloranyl-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-oxidanyl-propoxy]-N-ethyl-quinoline-6-carboxamide Openeye Name: 4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxy-propoxy]-N-ethyl-quinoline-6-carboxamide CAS Name: 4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxypropoxy]-N-ethyl-6-quinolinecarboxamide IUPAC Name: 4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxypropoxy]-N-ethylquinoline-6-carboxamide Traditional Name: 4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxy-propoxy]-N-ethyl-quinoline-6-carboxamide Formula: C28H36ClN5O5 MolecularWeight: 558.06894

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(C=CN=C2C=C1OCC(CN(CC)CC)O)OC3=CC(=C(C=C3)NC(=O)NCC)Cl

Isomeric SMILES

CCNC(=O)C1=CC2=C(C=CN=C2C=C1OCC(CN(CC)CC)O)OC3=CC(=C(C=C3)NC(=O)NCC)Cl

InChI

InChI=1S/C28H36ClN5O5/c1-5-30-27(36)21-14-20-24(15-26(21)38-17-18(35)16-34(7-3)8-4)32-12-11-25(20)39-19-9-10-23(22(29)13-19)33-28(37)31-6-2/h9-15,18,35H,5-8,16-17H2,1-4H3,(H,30,36)(H2,31,33,37)