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

Systemtic Name: 2-dimethylaminoethyl 4-[(5-bromanyl-2-oxidanyl-phenyl)carbonyl-butyl-amino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[(5-bromo-2-hydroxy-benzoyl)-butyl-amino]benzoate CAS Name: 4-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]-butylamino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[(5-bromo-2-hydroxybenzoyl)-butylamino]benzoate Traditional Name: 4-[(5-bromo-2-hydroxy-benzoyl)-butyl-amino]benzoic acid 2-dimethylaminoethyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-4-5-12-25(21(27)19-15-17(23)8-11-20(19)26)18-9-6-16(7-10-18)22(28)29-14-13-24(2)3/h6-11,15,26H,4-5,12-14H2,1-3H3