[5-[bis(phenylmethoxycarbonyl)amino]-2-bromanyl-1,3-diphenyl-hexan-3-yl] ethanoate

Systemtic Name: [5-[bis(phenylmethoxycarbonyl)amino]-2-bromanyl-1,3-diphenyl-hexan-3-yl] ethanoate Openeye Name: [3-[bis(benzyloxycarbonyl)amino]-1-(1-bromo-2-phenyl-ethyl)-1-phenyl-butyl] acetate CAS Name: acetic acid [5-[bis(phenylmethoxycarbonyl)amino]-2-bromo-1,3-diphenylhexan-3-yl] ester IUPAC Name: [5-[bis(phenylmethoxycarbonyl)amino]-2-bromo-1,3-diphenylhexan-3-yl] acetate Traditional Name: acetic acid [1-(1-bromo-2-phenyl-ethyl)-3-(dicarbobenzoxyamino)-1-phenyl-butyl] ester Formula: C36H36BrNO6 MolecularWeight: 658.57814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)Br)OC(=O)C)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(CC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)Br)OC(=O)C)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H36BrNO6/c1-27(24-36(44-28(2)39,32-21-13-6-14-22-32)33(37)23-29-15-7-3-8-16-29)38(34(40)42-25-30-17-9-4-10-18-30)35(41)43-26-31-19-11-5-12-20-31/h3-22,27,33H,23-26H2,1-2H3