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

Systemtic Name: 4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]butyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate Openeye Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)benzoic acid 4-[2-(3-benzoylphenyl)-1-oxopropoxy]butyl ester IUPAC Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(piperidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 4-[2-(3-benzoylphenyl)propanoyloxy]butyl ester Formula: C33H37BrN2O5 MolecularWeight: 621.56128

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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)CN4CCCCC4

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCCCC4

InChI

InChI=1S/C33H37BrN2O5/c1-23(25-13-10-14-26(19-25)31(37)24-11-4-2-5-12-24)32(38)40-17-8-9-18-41-33(39)27-20-28(30(35)29(34)21-27)22-36-15-6-3-7-16-36/h2,4-5,10-14,19-21,23H,3,6-9,15-18,22,35H2,1H3