2-diethylaminoethyl 4-[(5-bromanyl-2-oxidanyl-phenyl)carbonyl-butyl-amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(5-bromanyl-2-oxidanyl-phenyl)carbonyl-butyl-amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(5-bromo-2-hydroxy-benzoyl)-butyl-amino]benzoate CAS Name: 4-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]-butylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(5-bromo-2-hydroxybenzoyl)-butylamino]benzoate Traditional Name: 4-[(5-bromo-2-hydroxy-benzoyl)-butyl-amino]benzoic acid 2-diethylaminoethyl ester Formula: C24H31BrN2O4 MolecularWeight: 491.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(CC)CC)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(CC)CC)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C24H31BrN2O4/c1-4-7-14-27(23(29)21-17-19(25)10-13-22(21)28)20-11-8-18(9-12-20)24(30)31-16-15-26(5-2)6-3/h8-13,17,28H,4-7,14-16H2,1-3H3