5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)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-(piperidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C33H38BrFN2O4 MolecularWeight: 625.568223

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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)CN4CCCCC4)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)OCCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCCCC4)F

InChI

InChI=1S/C33H38BrFN2O4/c1-33(35,28-15-13-25(14-16-28)24-11-5-2-6-12-24)32(39)41-20-10-4-9-19-40-31(38)26-21-27(30(36)29(34)22-26)23-37-17-7-3-8-18-37/h2,5-6,11-16,21-22H,3-4,7-10,17-20,23,36H2,1H3