ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-6-bromanyl-3,4-dihydro-2H-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-6-bromanyl-3,4-dihydro-2H-quinoline-3-carboxylate Openeye Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-6-bromo-3,4-dihydro-2H-quinoline-3-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-6-bromo-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-6-bromo-3,4-dihydro-2H-quinoline-3-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-6-bromo-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester Formula: C28H44BrN3O5 MolecularWeight: 582.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=C1C=CC(=C2)Br)C(=O)OCC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=C1C=CC(=C2)Br)C(=O)OCC)N)O

InChI

InChI=1S/C28H44BrN3O5/c1-6-8-11-31-26(35)18(3)12-24(33)22(30)15-28(4,5)16-25(34)32-17-20(27(36)37-7-2)13-19-14-21(29)9-10-23(19)32/h9-10,14,18,20,22,24,33H,6-8,11-13,15-17,30H2,1-5H3,(H,31,35)