6-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxyhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 6-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxyhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 6-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-[2-fluoro-1-oxo-2-(4-phenylphenyl)propoxy]hexyl ester IUPAC Name: 6-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxyhexyl ester Formula: C33H40BrFN2O4 MolecularWeight: 627.584103

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H40BrFN2O4/c1-4-37(5-2)23-27-21-26(22-29(34)30(27)36)31(38)40-19-11-6-7-12-20-41-32(39)33(3,35)28-17-15-25(16-18-28)24-13-9-8-10-14-24/h8-10,13-18,21-22H,4-7,11-12,19-20,23,36H2,1-3H3