[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C24H17Br2N3O3 MolecularWeight: 555.21808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)Br

InChI

InChI=1S/C24H17Br2N3O3/c1-14-9-18(25)23(19(26)10-14)29-22(30)13-32-24(31)17-11-21(15-5-4-8-27-12-15)28-20-7-3-2-6-16(17)20/h2-12H,13H2,1H3,(H,29,30)