methyl 2-[2-[2-bromanyl-4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]ethanoate

Systemtic Name: methyl 2-[2-[2-bromanyl-4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]ethanoate Openeye Name: methyl 2-[2-[2-bromo-4-(2-quinolylmethoxy)phenyl]cycloheptyl]acetate CAS Name: 2-[2-[2-bromo-4-(2-quinolinylmethoxy)phenyl]cycloheptyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-bromo-4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetate Traditional Name: 2-[2-[2-bromo-4-(2-quinolylmethoxy)phenyl]cycloheptyl]acetic acid methyl ester Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCCC1C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)Br

Isomeric SMILES

COC(=O)CC1CCCCCC1C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C26H28BrNO3/c1-30-26(29)15-19-8-3-2-4-9-22(19)23-14-13-21(16-24(23)27)31-17-20-12-11-18-7-5-6-10-25(18)28-20/h5-7,10-14,16,19,22H,2-4,8-9,15,17H2,1H3