quinolin-8-ylmethyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: quinolin-8-ylmethyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: 8-quinolylmethyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid 8-quinolylmethyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=CC3=C2N=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=CC3=C2N=CC=C3)OC

InChI

InChI=1S/C20H18BrNO4/c1-3-25-19-16(21)10-15(11-17(19)24-2)20(23)26-12-14-7-4-6-13-8-5-9-22-18(13)14/h4-11H,3,12H2,1-2H3