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

Systemtic Name: 4-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxybutyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 4-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxybutyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-[2-fluoro-1-oxo-2-(4-phenylphenyl)propoxy]butyl ester IUPAC Name: 4-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxybutyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxybutyl ester Formula: C31H36BrFN2O4 MolecularWeight: 599.530943

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H36BrFN2O4/c1-4-35(5-2)21-25-19-24(20-27(32)28(25)34)29(36)38-17-9-10-18-39-30(37)31(3,33)26-15-13-23(14-16-26)22-11-7-6-8-12-22/h6-8,11-16,19-20H,4-5,9-10,17-18,21,34H2,1-3H3