(phenylmethyl) 2-[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-benzyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C23H29BrN2O4/c1-28-21-13-19(20(24)14-22(21)29-2)15-25-9-6-10-26(12-11-25)16-23(27)30-17-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15-17H2,1-2H3