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

Systemtic Name: 5-chloranylpentyl 4-azanyl-3-bromanyl-5-[(1-cyclohexylpropylamino)methyl]benzoate Openeye Name: 5-chloropentyl 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(1-cyclohexylpropylamino)methyl]benzoic acid 5-chloropentyl ester Formula: C22H34BrClN2O2 MolecularWeight: 473.87456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34BrClN2O2/c1-2-20(16-9-5-3-6-10-16)26-15-18-13-17(14-19(23)21(18)25)22(27)28-12-8-4-7-11-24/h13-14,16,20,26H,2-12,15,25H2,1H3