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

Systemtic Name: 4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]butyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate Openeye Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 4-[2-(3-benzoylphenyl)-1-oxopropoxy]butyl ester IUPAC Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 4-[2-(3-benzoylphenyl)propanoyloxy]butyl ester Formula: C30H33BrN2O5 MolecularWeight: 581.49742

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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)CN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H33BrN2O5/c1-20(22-12-9-13-23(16-22)28(34)21-10-5-4-6-11-21)29(35)37-14-7-8-15-38-30(36)24-17-25(19-33(2)3)27(32)26(31)18-24/h4-6,9-13,16-18,20H,7-8,14-15,19,32H2,1-3H3