butyl 6-bromanyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-2-carboxylate

Systemtic Name: butyl 6-bromanyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-2-carboxylate Openeye Name: butyl 6-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-2-carboxylate CAS Name: 6-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 6-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-2-carboxylate Traditional Name: 6-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinaldic acid butyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC2=C(C=C(C=C2)Br)C(=C1)N3CCC4(CC3)OCCO4

Isomeric SMILES

CCCCOC(=O)C1=NC2=C(C=C(C=C2)Br)C(=C1)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C21H25BrN2O4/c1-2-3-10-26-20(25)18-14-19(16-13-15(22)4-5-17(16)23-18)24-8-6-21(7-9-24)27-11-12-28-21/h4-5,13-14H,2-3,6-12H2,1H3