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

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-methyl-quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-methyl-quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-methyl-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-methylquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]-8-methyl-quinoline-3-carboxylic acid Formula: C19H16BrClN2O3 MolecularWeight: 435.69894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClN2O3/c1-10-5-12(20)7-13-17(10)23-9-14(19(24)25)18(13)22-8-11-3-4-16(26-2)15(21)6-11/h3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25)