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

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(dimethylaminomethyl)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-(dimethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C30H34BrFN2O4 MolecularWeight: 585.504363

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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)CN(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C30H34BrFN2O4/c1-30(32,25-14-12-22(13-15-25)21-10-6-4-7-11-21)29(36)38-17-9-5-8-16-37-28(35)23-18-24(20-34(2)3)27(33)26(31)19-23/h4,6-7,10-15,18-19H,5,8-9,16-17,20,33H2,1-3H3