2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-cinchoninate Formula: C20H17BrNO4- MolecularWeight: 415.25728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C20H18BrNO4/c1-4-26-19-15(21)8-12(9-18(19)25-3)17-10-14(20(23)24)13-7-11(2)5-6-16(13)22-17/h5-10H,4H2,1-3H3,(H,23,24)/p-1