2-[2-dimethylaminoethyl(methyl)amino]ethyl 5-[3,5-bis(fluoranyl)phenyl]-4-[[3-(dipropylcarbamoyl)-5-methyl-phenyl]carbonylamino]-3-[[(3-pent-1-ynylphenyl)methylamino]methyl]pentaneperoxoate

Systemtic Name: 2-[2-dimethylaminoethyl(methyl)amino]ethyl 5-[3,5-bis(fluoranyl)phenyl]-4-[[3-(dipropylcarbamoyl)-5-methyl-phenyl]carbonylamino]-3-[[(3-pent-1-ynylphenyl)methylamino]methyl]pentaneperoxoate Openeye Name: 2-[2-dimethylaminoethyl(methyl)amino]ethyl 5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methyl-benzoyl]amino]-3-[[(3-pent-1-ynylphenyl)methylamino]methyl]pentaneperoxoate CAS Name: 5-(3,5-difluorophenyl)-4-[[[3-[(dipropylamino)-oxomethyl]-5-methylphenyl]-oxomethyl]amino]-3-[[(3-pent-1-ynylphenyl)methylamino]methyl]pentaneperoxoic acid 2-[2-dimethylaminoethyl(methyl)amino]ethyl ester IUPAC Name: 2-[2-dimethylaminoethyl(methyl)amino]ethyl 5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino]-3-[[(3-pent-1-ynylphenyl)methylamino]methyl]pentaneperoxoate Traditional Name: 5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methyl-benzoyl]amino]-3-[[(3-pent-1-ynylbenzyl)amino]methyl]peroxyvaleric acid 2-[2-dimethylaminoethyl(methyl)amino]ethyl ester Formula: C46H63F2N5O5 MolecularWeight: 804.019726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=CC=C1)CNCC(CC(=O)OOCCN(C)CCN(C)C)C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N(CCC)CCC

Isomeric SMILES

CCCC#CC1=CC(=CC=C1)CNCC(CC(=O)OOCCN(C)CCN(C)C)C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N(CCC)CCC

InChI

InChI=1S/C46H63F2N5O5/c1-8-11-12-14-35-15-13-16-36(25-35)32-49-33-40(30-44(54)58-57-22-21-52(7)20-19-51(5)6)43(28-37-26-41(47)31-42(48)27-37)50-45(55)38-23-34(4)24-39(29-38)46(56)53(17-9-2)18-10-3/h13,15-16,23-27,29,31,40,43,49H,8-11,17-22,28,30,32-33H2,1-7H3,(H,50,55)