methyl 4-[4-[(6-bromanylquinolin-2-yl)amino]phenoxy]pentanoate

Systemtic Name: methyl 4-[4-[(6-bromanylquinolin-2-yl)amino]phenoxy]pentanoate Openeye Name: methyl 4-[4-[(6-bromo-2-quinolyl)amino]phenoxy]pentanoate CAS Name: 4-[4-[(6-bromo-2-quinolinyl)amino]phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 4-[4-[(6-bromoquinolin-2-yl)amino]phenoxy]pentanoate Traditional Name: 4-[4-[(6-bromo-2-quinolyl)amino]phenoxy]valeric acid methyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)OC1=CC=C(C=C1)NC2=NC3=C(C=C2)C=C(C=C3)Br

Isomeric SMILES

CC(CCC(=O)OC)OC1=CC=C(C=C1)NC2=NC3=C(C=C2)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O3/c1-14(3-12-21(25)26-2)27-18-8-6-17(7-9-18)23-20-11-4-15-13-16(22)5-10-19(15)24-20/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)