3-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]propyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 3-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]propyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 3-[2-(3-benzoylphenyl)propanoyloxy]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[2-(3-benzoylphenyl)-1-oxopropoxy]propyl ester IUPAC Name: 3-[2-(3-benzoylphenyl)propanoyloxy]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[2-(3-benzoylphenyl)propanoyloxy]propyl ester Formula: C31H35BrN2O5 MolecularWeight: 595.524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35BrN2O5/c1-4-34(5-2)20-26-18-25(19-27(32)28(26)33)31(37)39-16-10-15-38-30(36)21(3)23-13-9-14-24(17-23)29(35)22-11-7-6-8-12-22/h6-9,11-14,17-19,21H,4-5,10,15-16,20,33H2,1-3H3