[5-[2-(butylamino)-1-oxidanyl-propyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-8-yl] 2-bromanylbenzoate

Systemtic Name: [5-[2-(butylamino)-1-oxidanyl-propyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-8-yl] 2-bromanylbenzoate Openeye Name: [5-[2-(butylamino)-1-hydroxy-propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-[2-(butylamino)-1-hydroxypropyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] ester IUPAC Name: [5-[2-(butylamino)-1-hydroxypropyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [5-[2-(butylamino)-1-hydroxy-propyl]-2-keto-3,4-dihydro-1H-quinolin-8-yl] ester Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C)C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)C3=CC=CC=C3Br)O

Isomeric SMILES

CCCCNC(C)C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)C3=CC=CC=C3Br)O

InChI

InChI=1S/C23H27BrN2O4/c1-3-4-13-25-14(2)22(28)16-9-11-19(21-15(16)10-12-20(27)26-21)30-23(29)17-7-5-6-8-18(17)24/h5-9,11,14,22,25,28H,3-4,10,12-13H2,1-2H3,(H,26,27)