3-bromanyl-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid

Systemtic Name: 3-bromanyl-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid Openeye Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid CAS Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid IUPAC Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid Traditional Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1Br)C(=O)O)CNC2CCCCC2

Isomeric SMILES

CCNC1=C(C=C(C=C1Br)C(=O)O)CNC2CCCCC2

InChI

InChI=1S/C16H23BrN2O2/c1-2-18-15-12(8-11(16(20)21)9-14(15)17)10-19-13-6-4-3-5-7-13/h8-9,13,18-19H,2-7,10H2,1H3,(H,20,21)