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

Systemtic Name: 5-[2-fluoranyl-2-(4-phenylphenyl)propanoyl]oxypentyl 4-azanyl-3-bromanyl-5-[(propan-2-ylamino)methyl]benzoate Openeye Name: 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl 4-amino-3-bromo-5-[(isopropylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(propan-2-ylamino)methyl]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-[(propan-2-ylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(isopropylamino)methyl]benzoic acid 5-[2-fluoro-2-(4-phenylphenyl)propanoyl]oxypentyl ester Formula: C31H36BrFN2O4 MolecularWeight: 599.530943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=C(C(=CC(=C1)C(=O)OCCCCCOC(=O)C(C)(C2=CC=C(C=C2)C3=CC=CC=C3)F)Br)N

Isomeric SMILES

CC(C)NCC1=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/C31H36BrFN2O4/c1-21(2)35-20-25-18-24(19-27(32)28(25)34)29(36)38-16-8-5-9-17-39-30(37)31(3,33)26-14-12-23(13-15-26)22-10-6-4-7-11-22/h4,6-7,10-15,18-19,21,35H,5,8-9,16-17,20,34H2,1-3H3