[3-(2,2-dimethylpropanoyloxy)-5-[2-[2-(2-phenoxyethanoylamino)ethyl-(phenylmethyl)amino]ethanoyl]phenyl] 2,2-dimethylpropanoate hydrobromide

Systemtic Name: [3-(2,2-dimethylpropanoyloxy)-5-[2-[2-(2-phenoxyethanoylamino)ethyl-(phenylmethyl)amino]ethanoyl]phenyl] 2,2-dimethylpropanoate hydrobromide Openeye Name: [3-[2-[benzyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]acetyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate hydrobromide CAS Name: 2,2-dimethylpropanoic acid [3-(2,2-dimethyl-1-oxopropoxy)-5-[1-oxo-2-[2-[(1-oxo-2-phenoxyethyl)amino]ethyl-(phenylmethyl)amino]ethyl]phenyl] ester hydrobromide IUPAC Name: [3-[2-[benzyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]acetyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate hydrobromide Traditional Name: 2,2-dimethylpropionic acid [3-[2-[benzyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]acetyl]-5-pivaloyloxy-phenyl] ester hydrobromide Formula: C35H43BrN2O7 MolecularWeight: 683.62912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(=O)CN(CCNC(=O)COC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)C(C)(C)C.Br

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(=O)CN(CCNC(=O)COC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)C(C)(C)C.Br

InChI

InChI=1S/C35H42N2O7.BrH/c1-34(2,3)32(40)43-28-19-26(20-29(21-28)44-33(41)35(4,5)6)30(38)23-37(22-25-13-9-7-10-14-25)18-17-36-31(39)24-42-27-15-11-8-12-16-27;/h7-16,19-21H,17-18,22-24H2,1-6H3,(H,36,39);1H