6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(chloromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(chloromethyl)quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(chloromethyl)quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(chloromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(chloromethyl)quinoline-3-carboxylic acid Traditional Name: 6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]-8-(chloromethyl)quinoline-3-carboxylic acid Formula: C19H15BrCl2N2O3 MolecularWeight: 470.144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=NC3=C(C=C(C=C32)Br)CCl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=NC3=C(C=C(C=C32)Br)CCl)C(=O)O)Cl

InChI

InChI=1S/C19H15BrCl2N2O3/c1-27-16-3-2-10(4-15(16)22)8-23-18-13-6-12(20)5-11(7-21)17(13)24-9-14(18)19(25)26/h2-6,9H,7-8H2,1H3,(H,23,24)(H,25,26)