(phenylmethyl) 2-[bis(phenylmethyl)amino]-3-bromanyl-5-methoxy-benzoate

Systemtic Name: (phenylmethyl) 2-[bis(phenylmethyl)amino]-3-bromanyl-5-methoxy-benzoate Openeye Name: benzyl 3-bromo-2-(dibenzylamino)-5-methoxy-benzoate CAS Name: 2-[bis(phenylmethyl)amino]-3-bromo-5-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-bromo-2-(dibenzylamino)-5-methoxybenzoate Traditional Name: 3-bromo-2-(dibenzylamino)-5-methoxy-benzoic acid benzyl ester Formula: C29H26BrNO3 MolecularWeight: 516.42564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C29H26BrNO3/c1-33-25-17-26(29(32)34-21-24-15-9-4-10-16-24)28(27(30)18-25)31(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-18H,19-21H2,1H3