[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylquinoline-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylquinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-ethylquinoline-4-carboxylate CAS Name: 2-ethyl-4-quinolinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-ethylquinoline-4-carboxylate Traditional Name: 2-ethylcinchoninic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H19BrN2O3/c1-3-14-11-16(15-6-4-5-7-18(15)23-14)21(26)27-12-20(25)24-19-9-8-13(2)10-17(19)22/h4-11H,3,12H2,1-2H3,(H,24,25)