methyl 5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]benzoate

Systemtic Name: methyl 5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]benzoate Openeye Name: methyl 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzoate CAS Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzoate Traditional Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazino]ethoxy]-5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]benzoic acid methyl ester Formula: C32H34F2N4O5 MolecularWeight: 592.632966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)N)O)OCCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)N)O)OCCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C32H34F2N4O5/c1-42-31(39)28-22-23(4-2-3-15-38(41)32(35)40)5-14-29(28)43-21-20-36-16-18-37(19-17-36)30(24-6-10-26(33)11-7-24)25-8-12-27(34)13-9-25/h5-14,22,30,41H,3,15-21H2,1H3,(H2,35,40)