4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]butyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: 4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]butyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-pyrrolidinylmethyl)benzoic acid 4-[2-(3-benzoylphenyl)-1-oxopropoxy]butyl ester IUPAC Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(pyrrolidinomethyl)benzoic acid 4-[2-(3-benzoylphenyl)propanoyloxy]butyl ester Formula: C32H35BrN2O5 MolecularWeight: 607.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35BrN2O5/c1-22(24-12-9-13-25(18-24)30(36)23-10-3-2-4-11-23)31(37)39-16-7-8-17-40-32(38)26-19-27(29(34)28(33)20-26)21-35-14-5-6-15-35/h2-4,9-13,18-20,22H,5-8,14-17,21,34H2,1H3