5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(4-methyl-1-piperazinyl)methyl]benzoic acid 5-[2-fluoro-1-oxo-2-(4-phenylphenyl)propoxy]pentyl ester IUPAC Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C33H39BrFN3O4 MolecularWeight: 640.582863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)OCCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCN(CC4)C)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)OCCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCN(CC4)C)F

InChI

InChI=1S/C33H39BrFN3O4/c1-33(35,28-13-11-25(12-14-28)24-9-5-3-6-10-24)32(40)42-20-8-4-7-19-41-31(39)26-21-27(30(36)29(34)22-26)23-38-17-15-37(2)16-18-38/h3,5-6,9-14,21-22H,4,7-8,15-20,23,36H2,1-2H3