2-hydroxyethyl 3-bromanyl-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoate

Systemtic Name: 2-hydroxyethyl 3-bromanyl-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoate Openeye Name: 2-hydroxyethyl 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoate CAS Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoate Traditional Name: 3-bromo-5-[(cyclohexylamino)methyl]-4-(ethylamino)benzoic acid 2-hydroxyethyl ester Formula: C18H27BrN2O3 MolecularWeight: 399.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O3/c1-2-20-17-14(12-21-15-6-4-3-5-7-15)10-13(11-16(17)19)18(23)24-9-8-22/h10-11,15,20-22H,2-9,12H2,1H3