methyl 2-[6-(aminomethyl)-1-bromanyl-naphthalen-2-yl]oxy-3-phenyl-propanoate

Systemtic Name: methyl 2-[6-(aminomethyl)-1-bromanyl-naphthalen-2-yl]oxy-3-phenyl-propanoate Openeye Name: methyl 2-[[6-(aminomethyl)-1-bromo-2-naphthyl]oxy]-3-phenyl-propanoate CAS Name: 2-[[6-(aminomethyl)-1-bromo-2-naphthalenyl]oxy]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[6-(aminomethyl)-1-bromonaphthalen-2-yl]oxy-3-phenylpropanoate Traditional Name: 2-[6-(aminomethyl)-1-bromo-2-naphthoxy]-3-phenyl-propionic acid methyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)OC2=C(C3=C(C=C2)C=C(C=C3)CN)Br

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)OC2=C(C3=C(C=C2)C=C(C=C3)CN)Br

InChI

InChI=1S/C21H20BrNO3/c1-25-21(24)19(12-14-5-3-2-4-6-14)26-18-10-8-16-11-15(13-23)7-9-17(16)20(18)22/h2-11,19H,12-13,23H2,1H3