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

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)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-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C32H38BrFN2O4 MolecularWeight: 613.557523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCCCOC(=O)C(C)(C2=CC=C(C=C2)C3=CC=CC=C3)F)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCCCOC(=O)C(C)(C2=CC=C(C=C2)C3=CC=CC=C3)F)Br)N

InChI

InChI=1S/C32H38BrFN2O4/c1-4-36(5-2)22-26-20-25(21-28(33)29(26)35)30(37)39-18-10-7-11-19-40-31(38)32(3,34)27-16-14-24(15-17-27)23-12-8-6-9-13-23/h6,8-9,12-17,20-21H,4-5,7,10-11,18-19,22,35H2,1-3H3