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

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-[(cyclohexylamino)methyl]benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(cyclohexylamino)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-[(cyclohexylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C34H40BrFN2O4 MolecularWeight: 639.594803

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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)CNC4CCCCC4)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)OCCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CNC4CCCCC4)F

InChI

InChI=1S/C34H40BrFN2O4/c1-34(36,28-17-15-25(16-18-28)24-11-5-2-6-12-24)33(40)42-20-10-4-9-19-41-32(39)26-21-27(31(37)30(35)22-26)23-38-29-13-7-3-8-14-29/h2,5-6,11-12,15-18,21-22,29,38H,3-4,7-10,13-14,19-20,23,37H2,1H3