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

Systemtic Name: 2-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]ethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 2-[2-(3-benzoylphenyl)propanoyloxy]ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 2-[2-(3-benzoylphenyl)-1-oxopropoxy]ethyl ester IUPAC Name: 2-[2-(3-benzoylphenyl)propanoyloxy]ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 2-[2-(3-benzoylphenyl)propanoyloxy]ethyl ester Formula: C32H35BrN2O5 MolecularWeight: 607.5347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCCCCC4

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOC(=O)C3=CC(=C(C(=C3)Br)N)CN4CCCCCC4

InChI

InChI=1S/C32H35BrN2O5/c1-22(24-12-9-13-25(18-24)30(36)23-10-5-4-6-11-23)31(37)39-16-17-40-32(38)26-19-27(29(34)28(33)20-26)21-35-14-7-2-3-8-15-35/h4-6,9-13,18-20,22H,2-3,7-8,14-17,21,34H2,1H3