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

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-pyrrolidinylmethyl)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-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(pyrrolidinomethyl)benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C32H36BrFN2O4 MolecularWeight: 611.541643

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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)CN4CCCC4)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)OCCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCCC4)F

InChI

InChI=1S/C32H36BrFN2O4/c1-32(34,27-14-12-24(13-15-27)23-10-4-2-5-11-23)31(38)40-19-9-3-8-18-39-30(37)25-20-26(29(35)28(33)21-25)22-36-16-6-7-17-36/h2,4-5,10-15,20-21H,3,6-9,16-19,22,35H2,1H3