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

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(dimethylaminomethyl)quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(dimethylaminomethyl)quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(dimethylaminomethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(dimethylaminomethyl)quinoline-3-carboxylic acid Traditional Name: 6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]-8-(dimethylaminomethyl)quinoline-3-carboxylic acid Formula: C21H21BrClN3O3 MolecularWeight: 478.76674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(C)CC1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21BrClN3O3/c1-26(2)11-13-7-14(22)8-15-19(13)25-10-16(21(27)28)20(15)24-9-12-4-5-18(29-3)17(23)6-12/h4-8,10H,9,11H2,1-3H3,(H,24,25)(H,27,28)