[2-bromanyl-1-(3,5-dimethylphenyl)-5-phenyl-4-(phenylmethoxycarbonylamino)pentan-3-yl] ethanoate

Systemtic Name: [2-bromanyl-1-(3,5-dimethylphenyl)-5-phenyl-4-(phenylmethoxycarbonylamino)pentan-3-yl] ethanoate Openeye Name: [1-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-2-bromo-3-(3,5-dimethylphenyl)propyl] acetate CAS Name: acetic acid [2-bromo-1-(3,5-dimethylphenyl)-5-phenyl-4-(phenylmethoxycarbonylamino)pentan-3-yl] ester IUPAC Name: [2-bromo-1-(3,5-dimethylphenyl)-5-phenyl-4-(phenylmethoxycarbonylamino)pentan-3-yl] acetate Traditional Name: acetic acid [1-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-2-bromo-3-(3,5-dimethylphenyl)propyl] ester Formula: C29H32BrNO4 MolecularWeight: 538.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(=O)C)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(C(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(=O)C)Br)C

InChI

InChI=1S/C29H32BrNO4/c1-20-14-21(2)16-25(15-20)17-26(30)28(35-22(3)32)27(18-23-10-6-4-7-11-23)31-29(33)34-19-24-12-8-5-9-13-24/h4-16,26-28H,17-19H2,1-3H3,(H,31,33)