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

Systemtic Name: 4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]butyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-[2-(3-benzoylphenyl)-1-oxopropoxy]butyl ester IUPAC Name: 4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-[2-(3-benzoylphenyl)propanoyloxy]butyl ester Formula: C32H37BrN2O5 MolecularWeight: 609.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H37BrN2O5/c1-4-35(5-2)21-27-19-26(20-28(33)29(27)34)32(38)40-17-10-9-16-39-31(37)22(3)24-14-11-15-25(18-24)30(36)23-12-7-6-8-13-23/h6-8,11-15,18-20,22H,4-5,9-10,16-17,21,34H2,1-3H3