5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(1-cyclohexylpropylamino)methyl]benzoate

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(1-cyclohexylpropylamino)methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoic acid 5-hydroxypentyl ester Formula: C22H35BrN2O3 MolecularWeight: 455.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

Isomeric SMILES

CCC(C1CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

InChI

InChI=1S/C22H35BrN2O3/c1-2-20(16-9-5-3-6-10-16)25-15-18-13-17(14-19(23)21(18)24)22(27)28-12-8-4-7-11-26/h13-14,16,20,25-26H,2-12,15,24H2,1H3